Geometry & MOs

Info

ID:	335977
PubChem CID:	127254984
Reduced:	ClO3N4H15C22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	387.115381
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	3.09
IP(EA), eV:	-9.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-methylbenzimidazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=NC=C(C=C5)Cl

DOS

IR

Vibrations