Geometry & MOs

Info

ID:	40266
PubChem CID:	8143842
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	380.179659
ΔH_f, kcal/mol:	12.64
Dipole, Da:	4.89
IP(EA), eV:	-8.02(-0.39)
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]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations