Geometry & MOs

Info

ID:	30685
PubChem CID:	841722
Reduced:	OSN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	5.25
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CC(C)(C)C

DOS

IR

Vibrations