Geometry & MOs

Info

ID:	18072
PubChem CID:	536613
Reduced:	NSCl2C19H31 (1)
Stoich.:	ABC2D19E31 (1)
Weight, g/mol:	375.155427
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	1.72
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-dodecylsulfanyl-2,6-dimethylpyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC1=C(C(=NC(=C1Cl)C)C)Cl

DOS

IR

Vibrations