Geometry & MOs

Info

ID:	195180
PubChem CID:	78651665
Reduced:	OCl2F2N2H8C16 (1)
Stoich.:	AB2C2D2E8F16 (1)
Weight, g/mol:	335.989089
ΔH_f, kcal/mol:	-54.69
Dipole, Da:	4.58
IP(EA), eV:	-9.2(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)Cl)F

DOS

IR

Vibrations