Geometry & MOs

Info

ID:	42039
PubChem CID:	8148212
Reduced:	OSN2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	363.094943
ΔH_f, kcal/mol:	-27.58
Dipole, Da:	5.75
IP(EA), eV:	-8.68(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-acetamidoethyl-[(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)NCCNC(=O)C

DOS

IR

Vibrations