Geometry & MOs

Info

ID:	330983
PubChem CID:	127248390
Reduced:	SCl2O2N3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	-22.07
Dipole, Da:	1.17
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-(quinolin-5-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations