Geometry & MOs

Info

ID:	227175
PubChem CID:	87560441
Reduced:	ClSO3H9C16 (1)
Stoich.:	ABC3D9E16 (1)
Weight, g/mol:	382.240248
ΔH_f, kcal/mol:	-66.42
Dipole, Da:	6.96
IP(EA), eV:	-9.16(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;2-(sulfanylmethyl)decanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4S(=O)(=O)O)Cl)C=C2

DOS

IR

Vibrations