Geometry & MOs

Info

ID:	298457
PubChem CID:	117649933
Reduced:	NOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	292.106791
ΔH_f, kcal/mol:	-13.83
Dipole, Da:	6.31
IP(EA), eV:	-8.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-1-[2-(2-methylsulfanyl-2H-pyridin-1-yl)prop-2-enyl]-2H-pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)N(C(=S)O2)C

DOS

IR

Vibrations