Geometry & MOs

Info

ID:

334902

PubChem CID:

127253708

Reduced:

N5O7C33H43 (1)

Stoich.:

A5B7C33D43 (1)

Weight, g/mol:

499.195465

ΔHf, kcal/mol:

-63.54

Dipole, Da:

3.96

IP(EA), eV:

 -8.26(-0.91)

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-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCCC1=NC(=NO1)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations