Geometry & MOs

Info

ID:	70004
PubChem CID:	47206623
Reduced:	SN3O4C10H13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	319.04452
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	6.29
IP(EA), eV:	-9.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CS(=O)(=O)CC2=NC(=NO2)C

DOS

IR

Vibrations