Geometry & MOs

Info

ID:	121407
PubChem CID:	50767048
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	418.192629
ΔH_f, kcal/mol:	-148.95
Dipole, Da:	11.47
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(ethyl)amino]-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations