Geometry & MOs

Info

ID:

42664

PubChem CID:

8149834

Reduced:

OS2N3C17H20 (1)

Stoich.:

AB2C3D17E20 (1)

Weight, g/mol:

345.096955

ΔHf, kcal/mol:

20.91

Dipole, Da:

14.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.933263

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-1-(cyclopentylamino)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+]C4CCCC4

DOS

IR

Vibrations