Geometry & MOs

Info

ID:	143917
PubChem CID:	53282685
Reduced:	FSCl2N2O3H17C21 (1)
Stoich.:	ABC2D2E3F17G21 (1)
Weight, g/mol:	488.07619
ΔH_f, kcal/mol:	-116.36
Dipole, Da:	7.46
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylsulfanylethyl)-4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=C(C=CC=C1Cl)Cl)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations