Geometry & MOs

Info

ID:	269542
PubChem CID:	103617917
Reduced:	SO4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	-111.35
Dipole, Da:	9.77
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentylsulfanylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C=O)OC

DOS

IR

Vibrations