Geometry & MOs

Info

ID:	178586
PubChem CID:	76353297
Reduced:	ClN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	373.14895
ΔH_f, kcal/mol:	-41.45
Dipole, Da:	4.78
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(2,6-difluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations