Geometry & MOs

Info

ID:	430032
PubChem CID:	135170089
Reduced:	NSO2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	1.12
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylsulfanylphenyl)methyl]-6-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOSOC1=CC=C(C=C1)CN

DOS

IR

Vibrations