Geometry & MOs

Info

ID:	158617
PubChem CID:	56464321
Reduced:	NSO9C19H19 (1)
Stoich.:	ABC9D19E19 (1)
Weight, g/mol:	448.93355
ΔH_f, kcal/mol:	-299.77
Dipole, Da:	5.5
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2=C(C=C(C=C2OC)OC)C(=O)O

DOS

IR

Vibrations