Geometry & MOs

Info

ID:	129456
PubChem CID:	51072647
Reduced:	NF2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	304.104563
ΔH_f, kcal/mol:	-152.08
Dipole, Da:	6.66
IP(EA), eV:	-9.18(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

COCC(=O)NC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations