Geometry & MOs

Info

ID:	175046
PubChem CID:	75849943
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-35.8
Dipole, Da:	5.94
IP(EA), eV:	-10.05(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyethoxy)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CSC1=NC(=O)C(C(C1C#N)(C)C)C#N

DOS

IR

Vibrations