Geometry & MOs

Info

ID:

334684

PubChem CID:

127253359

Reduced:

O3N4C26H30 (1)

Stoich.:

A3B4C26D30 (1)

Weight, g/mol:

585.185963

ΔHf, kcal/mol:

-91.07

Dipole, Da:

5.4

IP(EA), eV:

 -8.22(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,10-dimethoxy-6-[2-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C2=CC=CC=C21)CCNC(=O)CC[C@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations