Geometry & MOs

Info

ID:	211739
PubChem CID:	81051914
Reduced:	SN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	283.114319
ΔH_f, kcal/mol:	53.4
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-phenylsulfanylethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations