Geometry & MOs

Info

ID:	155504
PubChem CID:	56365840
Reduced:	ClF2S2N3O3H18C20 (1)
Stoich.:	AB2C2D3E3F18G20 (1)
Weight, g/mol:	398.066733
ΔH_f, kcal/mol:	-149.68
Dipole, Da:	7.69
IP(EA), eV:	-9.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-2-(difluoromethylsulfanyl)anilino]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations