Geometry & MOs

Info

ID:	334088
PubChem CID:	127252640
Reduced:	SN4O8C39H44 (1)
Stoich.:	AB4C8D39E44 (1)
Weight, g/mol:	455.148121
ΔH_f, kcal/mol:	-222.63
Dipole, Da:	1.0
IP(EA), eV:	-8.69(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-N-pyridin-2-ylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NC(=C(S1)C(=O)OCC)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