Geometry & MOs

Info

ID:	345114
PubChem CID:	127268874
Reduced:	N2S2O5C15H20 (1)
Stoich.:	A2B2C5D15E20 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-185.01
Dipole, Da:	4.63
IP(EA), eV:	-9.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethylsulfonyl)-3-phenylpiperazin-2-one

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1S(=O)(=O)N2CCNC(=O)C2C3=CC=CC=C3

DOS

IR

Vibrations