Geometry & MOs

Info

ID:	56368
PubChem CID:	17425199
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	461.104542
ΔH_f, kcal/mol:	-17.92
Dipole, Da:	4.46
IP(EA), eV:	-9.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CC3=CSC=C3

DOS

IR

Vibrations