Geometry & MOs

Info

ID:	329202
PubChem CID:	126731931
Reduced:	O3N4C13H24 (1)
Stoich.:	A3B4C13D24 (1)
Weight, g/mol:	766.462913
ΔH_f, kcal/mol:	-148.04
Dipole, Da:	2.08
IP(EA), eV:	-9.68(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,11S,14S)-3,18-bis(2-aminoethoxy)-11-methyl-14-[methyl-[2-(tetradecanoylamino)acetyl]amino]-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

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

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NN)NC(=O)C(C)(C)C

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

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NN)NC(=O)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):