Geometry & MOs

Info

ID:

42295

PubChem CID:

8149406

Reduced:

OS2N3C13H14 (1)

Stoich.:

AB2C3D13E14 (1)

Weight, g/mol:

291.050004

ΔHf, kcal/mol:

38.12

Dipole, Da:

8.44

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.854243

Charge, e:

0

Chem-info

IUPAC name:

2-[(1R)-1-(methylamino)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+]C

DOS

IR

Vibrations