Geometry & MOs

Info

ID:	121412
PubChem CID:	50767053
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-130.56
Dipole, Da:	4.4
IP(EA), eV:	-9.17(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dipropylamino)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations