Geometry & MOs

Info

ID:	62652
PubChem CID:	26732615
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-113.66
Dipole, Da:	8.94
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)OC)/C#N

DOS

IR

Vibrations