Geometry & MOs

Info

ID:	214223
PubChem CID:	84974693
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	10.93
IP(EA), eV:	-8.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC(C)C(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations