Geometry & MOs

Info

ID:	435535
PubChem CID:	135191756
Reduced:	FSCl2N3O4H12C15 (1)
Stoich.:	ABC2D3E4F12G15 (1)
Weight, g/mol:	755.02898
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	4.45
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-yl)-6-chloro-1H-indole-3-sulfonamide;6-chloro-N-[5-(difluoromethoxymethyl)-3-fluoropyridin-2-yl]-1H-indole-3-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C(=CN2)S(=O)(=O)NC3=NC(=C(C=C3F)Cl)OC)Cl

DOS

IR

Vibrations