Geometry & MOs

Info

ID:	139543
PubChem CID:	52552936
Reduced:	SO2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	1.41
IP(EA), eV:	-8.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyano-6-(3-phenylpropylsulfanyl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)NC(=O)N

DOS

IR

Vibrations