Geometry & MOs

Info

ID:	273010
PubChem CID:	103770314
Reduced:	F2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	289.094806
ΔH_f, kcal/mol:	-220.07
Dipole, Da:	1.58
IP(EA), eV:	-9.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C(F)F)O

DOS

IR

Vibrations