Geometry & MOs

Info

ID:	141472
PubChem CID:	52880556
Reduced:	NSO7H15C21 (1)
Stoich.:	ABC7D15E21 (1)
Weight, g/mol:	457.083138
ΔH_f, kcal/mol:	-96.07
Dipole, Da:	5.59
IP(EA), eV:	-9.18(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(carboxymethyl)-2-methoxyphenyl]sulfonylamino]-4-phenoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)[O-])OC3=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations