Geometry & MOs

Info

ID:	335711
PubChem CID:	127254573
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	493.097538
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	2.03
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2=NN=C3N2C=CC=C3)CNC(=O)NC4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations