Geometry & MOs

Info

ID:	131085
PubChem CID:	51153543
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	364.041519
ΔH_f, kcal/mol:	-69.61
Dipole, Da:	2.38
IP(EA), eV:	-8.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations