Geometry & MOs

Info

ID:	37565
PubChem CID:	8022263
Reduced:	ClFNO3H15C18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	330.065887
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	4.1
IP(EA), eV:	-8.73(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyphenyl)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl)F

DOS

IR

Vibrations