Geometry & MOs

Info

ID:	196569
PubChem CID:	78848854
Reduced:	OSN6C23H26 (1)
Stoich.:	ABC6D23E26 (1)
Weight, g/mol:	418.157581
ΔH_f, kcal/mol:	50.99
Dipole, Da:	4.21
IP(EA), eV:	-8.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-quinolin-5-yl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CNC2=CC=CC=C21)N3CCN(CC3)C4=C5C=CSC5=NC=N4

DOS

IR

Vibrations