Geometry & MOs

Info

ID:	170125
PubChem CID:	75200095
Reduced:	ClSN2O3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	345.088019
ΔH_f, kcal/mol:	-64.74
Dipole, Da:	6.22
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=CC(=O)NCC(C2=CSC=C2)N(C)C)Cl)OC

DOS

IR

Vibrations