Geometry & MOs

Info

ID:	42880
PubChem CID:	8150133
Reduced:	ON3S3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	374.045551
ΔH_f, kcal/mol:	53.67
Dipole, Da:	3.47
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCC4=CC=CS4

DOS

IR

Vibrations