Geometry & MOs

Info

ID:

42137

PubChem CID:

8149228

Reduced:

O2S2N3C16H18 (1)

Stoich.:

A2B2C3D16E18 (1)

Weight, g/mol:

347.076219

ΔHf, kcal/mol:

-0.74

Dipole, Da:

6.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.862317

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-1-morpholin-4-ylethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH+]4CCOCC4

DOS

IR

Vibrations