Geometry & MOs

Info

ID:	194924
PubChem CID:	78610022
Reduced:	OCl2N2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	362.073656
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	3.31
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)ethyl 2-[(3-cyano-4-methyl-6-oxo-3H-pyridin-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)CN(C)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations