Geometry & MOs

Info

ID:	284969
PubChem CID:	104086341
Reduced:	ClSN2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	231.048463
ΔH_f, kcal/mol:	58.87
Dipole, Da:	4.75
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloropropan-2-ylsulfanyl)-3-ethoxypyridine

Drug info:

PubChemData

Smile

CC(CCl)SC1=NC2=CC=CC=C2C=C1C#N

DOS

IR

Vibrations