Geometry & MOs

Info

ID:

190803

PubChem CID:

78059374

Reduced:

N7O20C34H43 (1)

Stoich.:

A7B20C34D43 (1)

Weight, g/mol:

703.28132

ΔHf, kcal/mol:

-809.89

Dipole, Da:

3.8

IP(EA), eV:

 -10.48(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[5-[5-azidopentanoyl-[(4-nitrophenyl)methyl]amino]-1-carboxypentyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]pentanedioic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)NCCCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-])C(=O)NCCCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations