Geometry & MOs

Info

ID:	36297
PubChem CID:	8001244
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	2.97
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-5-[4-(2-ethoxyphenoxy)butanoylamino]-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC2=CC=CC=C2Cl)C3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations