Geometry & MOs

Info

ID:	121406
PubChem CID:	50767015
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-149.03
Dipole, Da:	12.41
IP(EA), eV:	-8.58(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(ethyl)amino]-3-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCC(CC3)N4CCCCC4)C

DOS

IR

Vibrations