Geometry & MOs

Info

ID:	42256
PubChem CID:	8149362
Reduced:	OS2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	369.084379
ΔH_f, kcal/mol:	58.27
Dipole, Da:	2.35
IP(EA), eV:	-8.72(-1.08)
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]-(pyridin-3-ylmethyl)azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCC4=CN=CC=C4

DOS

IR

Vibrations