Geometry & MOs

Info

ID:	33004
PubChem CID:	7850048
Reduced:	N4O4C15H22 (1)
Stoich.:	A4B4C15D22 (1)
Weight, g/mol:	347.072449
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	2.16
IP(EA), eV:	-9.79(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC(=O)NC3CC3

DOS

IR

Vibrations