Geometry & MOs

Info

ID:	335168
PubChem CID:	127254029
Reduced:	N2O3C19H23 (2)
Stoich.:	A2B3C19D23 (2)
Weight, g/mol:	383.079373
ΔH_f, kcal/mol:	-126.91
Dipole, Da:	3.01
IP(EA), eV:	-8.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCC1=CN(C2=CC=CC=C21)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations