Geometry & MOs

Info

ID:

334981

PubChem CID:

127253787

Reduced:

N6O6C35H40 (1)

Stoich.:

A6B6C35D40 (1)

Weight, g/mol:

477.164833

ΔHf, kcal/mol:

-102.51

Dipole, Da:

3.34

IP(EA), eV:

 -8.33(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R)-11-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carbonyl)-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations