Geometry & MOs

Info

ID:	60180
PubChem CID:	26675850
Reduced:	ClSN2F3O5C20H20 (1)
Stoich.:	ABC2D3E5F20G20 (1)
Weight, g/mol:	462.06279
ΔH_f, kcal/mol:	-314.99
Dipole, Da:	7.22
IP(EA), eV:	-9.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methoxyanilino)-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations