Geometry & MOs

Info

ID:	271698
PubChem CID:	103689323
Reduced:	SO2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	168.07212
ΔH_f, kcal/mol:	-4.7
Dipole, Da:	2.96
IP(EA), eV:	-9.02(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-methylsulfanylpyridin-3-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2)C#N)C

DOS

IR

Vibrations