Geometry & MOs

Info

ID:	42670
PubChem CID:	8149844
Reduced:	OS2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	387.143905
ΔH_f, kcal/mol:	9.2
Dipole, Da:	15.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.928140
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(cyclooctylamino)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+]C4CCCCCCC4

DOS

IR

Vibrations