Geometry & MOs

Info

ID:

42766

PubChem CID:

8149974

Reduced:

O2S2N3C17H22 (1)

Stoich.:

A2B2C3D17E22 (1)

Weight, g/mol:

363.107519

ΔHf, kcal/mol:

-22.71

Dipole, Da:

16.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.919555

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCC[NH2+][C@H](C)C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

DOS

IR

Vibrations