Geometry & MOs

Info

ID:	326596
PubChem CID:	126687852
Reduced:	N5O6C30H51 (1)
Stoich.:	A5B6C30D51 (1)
Weight, g/mol:	1028.594655
ΔH_f, kcal/mol:	-304.7
Dipole, Da:	1.65
IP(EA), eV:	-9.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8S,11S,14S)-14-[[(2R)-2-amino-2-[[(2S)-2-amino-2-[[(2R)-2-(hexadecanoylamino)-4-phenylmethoxybutanoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dimethoxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)N)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):