Geometry & MOs

Info

ID:	17723
PubChem CID:	515027
Reduced:	ClF2S2O3N5H14C21 (1)
Stoich.:	AB2C2D3E5F14G21 (1)
Weight, g/mol:	521.019466
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	1.09
IP(EA), eV:	-9.2(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-fluorophenyl)-5-[[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfamoyl]-4-sulfanylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)NC3=NN=CN3C4=CC=C(C=C4)F)F

DOS

IR

Vibrations