Geometry & MOs

Info

ID:	42024
PubChem CID:	8148180
Reduced:	FOS2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	399.087533
ΔH_f, kcal/mol:	1.66
Dipole, Da:	4.34
IP(EA), eV:	-8.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[(4-fluorophenyl)methyl-methylamino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N(C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations