Geometry & MOs

Info

ID:	350587
PubChem CID:	127278622
Reduced:	SO4N5C17H29 (1)
Stoich.:	AB4C5D17E29 (1)
Weight, g/mol:	399.101955
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	7.31
IP(EA), eV:	-8.98(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations