Geometry & MOs

Info

ID:	69996
PubChem CID:	47206549
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	301.053942
ΔH_f, kcal/mol:	-116.32
Dipole, Da:	2.43
IP(EA), eV:	-9.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(C)S(=O)(=O)C/C=C/C1=CC=CC=C1

DOS

IR

Vibrations