Geometry & MOs

Info

ID:	121402
PubChem CID:	50766783
Reduced:	SN3O4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-145.85
Dipole, Da:	6.81
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(methyl)amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC5=C(CCCC5)C=C4)C(=O)O

DOS

IR

Vibrations