Geometry & MOs

Info

ID:	268205
PubChem CID:	103598357
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	5.79
IP(EA), eV:	-8.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanylethyl 3-pyridin-4-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C=CC(=O)NC(C)CN2C=NC=N2)OC

DOS

IR

Vibrations