Geometry & MOs

Info

ID:

125909

PubChem CID:

50943674

Reduced:

N2O4S5H14C20 (1)

Stoich.:

A2B4C5D14E20 (1)

Weight, g/mol:

653.958127

ΔHf, kcal/mol:

-28.24

Dipole, Da:

5.09

IP(EA), eV:

 -8.62(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-N-[6-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-methyl-1-benzothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)NC3=CSC=C3NS(=O)(=O)C4=CC5=CC=CC=C5S4

DOS

IR

Vibrations