Geometry & MOs

Info

ID:	273674
PubChem CID:	103771670
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	291.072928
ΔH_f, kcal/mol:	-19.62
Dipole, Da:	4.03
IP(EA), eV:	-9.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)NCC(C3=CSC=C3)O

DOS

IR

Vibrations