Geometry & MOs

Info

ID:	42663
PubChem CID:	8149833
Reduced:	OS2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	346.10478
ΔH_f, kcal/mol:	7.09
Dipole, Da:	4.45
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopentyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4CCCC4

DOS

IR

Vibrations