Geometry & MOs

Info

ID:	42765
PubChem CID:	8149973
Reduced:	O2S2N3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	364.115344
ΔH_f, kcal/mol:	-32.57
Dipole, Da:	6.32
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations