Geometry & MOs

Info

ID:	58021
PubChem CID:	24398251
Reduced:	N2S3O4H12C21 (1)
Stoich.:	A2B3C4D12E21 (1)
Weight, g/mol:	478.081027
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	5.79
IP(EA), eV:	-8.68(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=NC(=CS4)C5=CC=CS5

DOS

IR

Vibrations