Geometry & MOs

Info

ID:	60911
PubChem CID:	26703053
Reduced:	ClFNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	356.125988
ΔH_f, kcal/mol:	-66.05
Dipole, Da:	2.79
IP(EA), eV:	-9.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxybenzoate

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1=C(C=C(C=C1)Cl)F)C2=CC=CC=C2

DOS

IR

Vibrations