Geometry & MOs

Info

ID:	62654
PubChem CID:	26732617
Reduced:	N2F3O5H9C10 (1)
Stoich.:	A2B3C5D9E10 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-333.82
Dipole, Da:	6.34
IP(EA), eV:	-10.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations