Geometry & MOs

Info

ID:	272992
PubChem CID:	103769989
Reduced:	F2N2O2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	311.060312
ΔH_f, kcal/mol:	-154.25
Dipole, Da:	8.46
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-3-(3,4-difluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations