Geometry & MOs

Info

ID:	10827
PubChem CID:	108330
Reduced:	SO4N5C25H35 (1)
Stoich.:	AB4C5D25E35 (1)
Weight, g/mol:	501.240976
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	7.61
IP(EA), eV:	-9.43(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(C(=C(N(C2=O)CCCC)O)C#N)C

DOS

IR

Vibrations