Geometry & MOs

Info

ID:

42569

PubChem CID:

8149716

Reduced:

OS2N3C15H16 (1)

Stoich.:

AB2C3D15E16 (1)

Weight, g/mol:

317.065654

ΔHf, kcal/mol:

60.58

Dipole, Da:

5.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755148

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S)-1-(cyclopropylamino)ethyl]-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)[NH2+]C4CC4

DOS

IR

Vibrations