Geometry & MOs

Info

ID:	129538
PubChem CID:	51072997
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	262.037626
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	5.99
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CC2=C(NN=C2C)C

DOS

IR

Vibrations