Geometry & MOs

Info

ID:

334796

PubChem CID:

127253471

Reduced:

N6O8C39H48 (1)

Stoich.:

A6B8C39D48 (1)

Weight, g/mol:

478.185235

ΔHf, kcal/mol:

-198.04

Dipole, Da:

5.52

IP(EA), eV:

 -8.07(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NNC(=N1)CCC2=CC(=C(C=C2)OC)OC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations