Geometry & MOs

Info

ID:

334512

PubChem CID:

127253187

Reduced:

N2O8H26C27 (1)

Stoich.:

A2B8C26D27 (1)

Weight, g/mol:

455.16925

ΔHf, kcal/mol:

-274.03

Dipole, Da:

10.83

IP(EA), eV:

 -9.17(-0.9)

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-1,3-benzodioxol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=CC=C(C=C4)NC(=O)COC)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations