Geometry & MOs

Info

ID:	330904
PubChem CID:	127248311
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-27.02
Dipole, Da:	5.07
IP(EA), eV:	-9.31(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NON=C1C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations