Geometry & MOs

Info

ID:	217552
PubChem CID:	85087993
Reduced:	NaSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	35.18
Dipole, Da:	20.67
IP(EA), eV:	-7.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(benzenesulfonylmethylidene)-3-butylpyridin-1-yl]propanedinitrile

Drug info:

PubChemData

Smile

CCCCC1=CN(C=CC1=CS(=O)(=O)C2=CC=CC=C2)[C-](C#N)C#N.[Na+]

DOS

IR

Vibrations