Geometry & MOs

Info

ID:	158453
PubChem CID:	56463673
Reduced:	NSO9C18H19 (1)
Stoich.:	ABC9D18E19 (1)
Weight, g/mol:	405.979313
ΔH_f, kcal/mol:	-319.51
Dipole, Da:	5.1
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichloropyridin-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC2=C(C=C(C=C2OC)OC)C(=O)O)OCC(=O)O

DOS

IR

Vibrations