Geometry & MOs

Info

ID:	33005
PubChem CID:	7850056
Reduced:	ClFNO3H15C18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-127.1
Dipole, Da:	7.48
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-acetylanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations