Geometry & MOs

Info

ID:	359161
PubChem CID:	127297578
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-161.81
Dipole, Da:	5.66
IP(EA), eV:	-9.54(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylsulfonylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations