Geometry & MOs

Info

ID:	62660
PubChem CID:	26732624
Reduced:	ClNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	368.117235
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	3.02
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=CO2

DOS

IR

Vibrations