Geometry & MOs

Info

ID:	129401
PubChem CID:	51072492
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-54.57
Dipole, Da:	3.98
IP(EA), eV:	-9.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylsulfonylpiperazin-1-yl)-cyclohex-3-en-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)CC(C)(C)C

DOS

IR

Vibrations