Geometry & MOs

Info

ID:	62651
PubChem CID:	26732612
Reduced:	N2F3O5H11C16 (1)
Stoich.:	A2B3C5D11E16 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-291.01
Dipole, Da:	4.29
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(N1C(=O)COC(=O)C3=CC=CO3)C=CC(=C2)C(F)(F)F

DOS

IR

Vibrations