Geometry & MOs

Info

ID:	42703
PubChem CID:	8149887
Reduced:	ClOS2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	416.065807
ΔH_f, kcal/mol:	32.15
Dipole, Da:	4.86
IP(EA), eV:	-8.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-chlorophenyl)ethyl-[(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)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations