Geometry & MOs

Info

ID:	155511
PubChem CID:	56365847
Reduced:	ClNSF2O3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	419.02282
ΔH_f, kcal/mol:	-189.75
Dipole, Da:	1.14
IP(EA), eV:	-8.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)OC

DOS

IR

Vibrations