Geometry & MOs

Info

ID:	133582
PubChem CID:	51557723
Reduced:	SN2F3O3H16C18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	447.027373
ΔH_f, kcal/mol:	-186.32
Dipole, Da:	10.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105464
Charge, e:	-1

Chem-info

IUPAC name:

(5-chlorothiophen-2-yl)sulfonyl-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]azanide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=C2C=CC=CC2=NS(=O)(=O)C3=CC=CC=C3C(F)(F)F)[O-]

DOS

IR

Vibrations