Geometry & MOs

Info

ID:	334635
PubChem CID:	127253310
Reduced:	SN3O8C32H37 (1)
Stoich.:	AB3C8D32E37 (1)
Weight, g/mol:	464.137222
ΔH_f, kcal/mol:	-280.85
Dipole, Da:	5.05
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)benzoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)N[C@@H](CCSC)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations