Geometry & MOs

Info

ID:	387364
PubChem CID:	134985093
Reduced:	ClSN2O2C16H21 (1)
Stoich.:	ABC2D2E16F21 (1)
Weight, g/mol:	353.14495
ΔH_f, kcal/mol:	-70.74
Dipole, Da:	5.34
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(1S,2R)-2-(2-phenylethynyl)cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCN1[C@H]([C@H](N(C1=S)C2=CC=C(C=C2)Cl)C(=O)OC)C

DOS

IR

Vibrations