Geometry & MOs

Info

ID:	141395
PubChem CID:	52873357
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-176.36
Dipole, Da:	6.14
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(3-ethoxypropyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)NC(=O)NC2=CC(=C(C=C2)F)F)O

DOS

IR

Vibrations