Geometry & MOs

Info

ID:	42308
PubChem CID:	8149419
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	306.07348
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	0.85
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN[C@H](C)C1=NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)N1

DOS

IR

Vibrations