Geometry & MOs

Info

ID:	132608
PubChem CID:	51385444
Reduced:	NSC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	369.987614
ΔH_f, kcal/mol:	66.65
Dipole, Da:	17.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.878941
Charge, e:	-1

Chem-info

IUPAC name:

(4S)-4-[(4-chlorophenyl)sulfonylamino]-1-methyl-5-oxo-4-(trifluoromethyl)imidazol-2-olate

Drug info:

PubChemData

Smile

C1C[NH2+]CCC12C3=CC=CC=C3CS2

DOS

IR

Vibrations