Geometry & MOs

Info

ID:	335477
PubChem CID:	127254339
Reduced:	ON2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	459.136511
ΔH_f, kcal/mol:	35.82
Dipole, Da:	4.16
IP(EA), eV:	-9.24(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[5-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]benzoyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CC1CNC(=O)C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations