Geometry & MOs

Info

ID:	273076
PubChem CID:	103770447
Reduced:	NSF2O4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	266.086684
ΔH_f, kcal/mol:	-251.19
Dipole, Da:	3.52
IP(EA), eV:	-10.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-cyanophenyl)-N-(3,3-difluoro-2-hydroxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations