Geometry & MOs

Info

ID:	334189
PubChem CID:	127252741
Reduced:	N3O6H21C25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	438.121572
ΔH_f, kcal/mol:	-144.72
Dipole, Da:	4.79
IP(EA), eV:	-8.4(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)CN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations