Geometry & MOs

Info

ID:	330909
PubChem CID:	127248316
Reduced:	SO2N5C24H27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	5.87
IP(EA), eV:	-8.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations