Geometry & MOs

Info

ID:

1401

PubChem CID:

4329

Reduced:

N6O13C26H34 (1)

Stoich.:

A6B13C26D34 (1)

Weight, g/mol:

638.218385

ΔHf, kcal/mol:

-511.0

Dipole, Da:

9.21

IP(EA), eV:

 -9.82(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-acetamido-3-carboxypropanoyl)amino]-5-[[1-[[3-carboxy-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

DOS

IR

Vibrations