Geometry & MOs

Info

ID:	227789
PubChem CID:	87562491
Reduced:	ClO3N4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	465.053703
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	0.65
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-[4-cyano-3-(trifluoromethyl)anilino]-1-(4-fluorophenyl)sulfonyl-2-methyl-1-oxopropan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC(=C1)Cl)N2CCN(CC2)CCN3CCOCC3

DOS

IR

Vibrations