Geometry & MOs

Info

ID:	284971
PubChem CID:	104086358
Reduced:	ClNSC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	217.032813
ΔH_f, kcal/mol:	33.64
Dipole, Da:	4.38
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations