Geometry & MOs

Info

ID:	58507
PubChem CID:	24702109
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	261.022642
ΔH_f, kcal/mol:	-21.39
Dipole, Da:	8.25
IP(EA), eV:	-8.61(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-methylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)C)N

DOS

IR

Vibrations