Geometry & MOs

Info

ID:	40280
PubChem CID:	8143867
Reduced:	ClOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	370.158923
ΔH_f, kcal/mol:	55.75
Dipole, Da:	4.22
IP(EA), eV:	-8.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4=CC=CC=C4

DOS

IR

Vibrations