Geometry & MOs

Info

ID:	42661
PubChem CID:	8149831
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	346.10478
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	2.95
IP(EA), eV:	-8.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NC4CCCC4

DOS

IR

Vibrations