Geometry & MOs

Info

ID:	61275
PubChem CID:	26707761
Reduced:	ClN2O2F4H11C16 (1)
Stoich.:	AB2C2D4E11F16 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-222.88
Dipole, Da:	5.88
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations