Geometry & MOs

Info

ID:

335128

PubChem CID:

127253989

Reduced:

N4O6C31H32 (1)

Stoich.:

A4B6C31D32 (1)

Weight, g/mol:

492.200885

ΔHf, kcal/mol:

-42.46

Dipole, Da:

6.33

IP(EA), eV:

 -8.46(-1.88)

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-1-methyl-2-oxoquinolin-3-yl)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3CC4=C(C=CC(=C4)[N+](=O)[O-])N5[C@H]3C6CC(C5)C7=CC=CC(=O)N7C6)OC

DOS

IR

Vibrations