Geometry & MOs

Info

ID:	334459
PubChem CID:	127253011
Reduced:	N3O8C31H41 (1)
Stoich.:	A3B8C31D41 (1)
Weight, g/mol:	432.114378
ΔH_f, kcal/mol:	-292.14
Dipole, Da:	4.13
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCC(=O)OC)NC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations