Geometry & MOs

Info

ID:	330906
PubChem CID:	127248313
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	9.79
Dipole, Da:	3.17
IP(EA), eV:	-8.91(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCO)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)CC4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations