Geometry & MOs

Info

ID:

334868

PubChem CID:

127253674

Reduced:

O2N3C16H17 (2)

Stoich.:

A2B3C16D17 (2)

Weight, g/mol:

477.178752

ΔHf, kcal/mol:

-5.71

Dipole, Da:

9.83

IP(EA), eV:

 -8.85(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@@H]3CC4=C(C=CC(=C4)[N+](=O)[O-])N5[C@H]3C6CC(C5)C7=CC=CC(=O)N7C6

DOS

IR

Vibrations