Geometry & MOs

Info

ID:

334068

PubChem CID:

127252620

Reduced:

N2O3H11C13 (2)

Stoich.:

A2B3C11D13 (2)

Weight, g/mol:

587.172621

ΔHf, kcal/mol:

-138.04

Dipole, Da:

1.44

IP(EA), eV:

 -8.93(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC=C(C=C5)C(=O)N)OC

DOS

IR

Vibrations