Geometry & MOs

Info

ID:	121398
PubChem CID:	50766650
Reduced:	SN2O6C23H28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-235.39
Dipole, Da:	6.29
IP(EA), eV:	-8.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(methyl)amino]-5-[(4-methylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)C)C)C(=O)O

DOS

IR

Vibrations