Geometry & MOs

Info

ID:	169622
PubChem CID:	75127399
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	468.081364
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	8.68
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoylamino]-4-thiophen-2-ylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NNC(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations