Geometry & MOs

Info

ID:	169589
PubChem CID:	75122054
Reduced:	ClN2O6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	420.113293
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	4.89
IP(EA), eV:	-8.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC

DOS

IR

Vibrations