Geometry & MOs

Info

ID:

176480

PubChem CID:

76057951

Reduced:

N7O7C27H40 (1)

Stoich.:

A7B7C27D40 (1)

Weight, g/mol:

441.1536

ΔHf, kcal/mol:

-257.21

Dipole, Da:

13.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.910020

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[acetyl-(4-propanoyloxypyrrolidine-2-carbonyl)amino]phenyl]-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=C[N+]#N)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations