Geometry & MOs

Info

ID:	313280
PubChem CID:	126613434
Reduced:	SN3O4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	582.287592
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	8.95
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[5-[(E)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl]-4-[3-(diethylamino)propylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(C)C(C1CCN(CC1)C2=CC=C(S2)/C=C(/C#N)\C3=CC(=C(C=C3)OC)OC)C(=O)O

DOS

IR

Vibrations