Geometry & MOs

Info

ID:	35463
PubChem CID:	7979908
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	392.213364
ΔH_f, kcal/mol:	-123.72
Dipole, Da:	4.95
IP(EA), eV:	-9.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H]3C[C@H]4CC[C@H]3C4

DOS

IR

Vibrations