Geometry & MOs

Info

ID:	40244
PubChem CID:	8143801
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	2.98
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC2=NN(C(=S)O2)CN3CCCC3

DOS

IR

Vibrations