Geometry & MOs

Info

ID:	326649
PubChem CID:	126687944
Reduced:	N3O6C14H27 (1)
Stoich.:	A3B6C14D27 (1)
Weight, g/mol:	685.368678
ΔH_f, kcal/mol:	-223.06
Dipole, Da:	6.49
IP(EA), eV:	-9.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8S,11S,14S)-14-[[(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-methylamino]-3,18-dimethoxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2(20),5,15(19),16-pentaene-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

CCCCOC[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OO)NC

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

CCCCOC[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OO)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):