Geometry & MOs

Info

ID:	225435
PubChem CID:	85786827
Reduced:	NS2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	47.42
Dipole, Da:	4.21
IP(EA), eV:	-8.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=S)SCC3=CC=CC=C3

DOS

IR

Vibrations