Geometry & MOs

Info

ID:	58024
PubChem CID:	24420945
Reduced:	SN3O8H19C22 (1)
Stoich.:	AB3C8D19E22 (1)
Weight, g/mol:	435.088892
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	7.45
IP(EA), eV:	-8.49(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

DOS

IR

Vibrations