Geometry & MOs

Info

ID:	38075
PubChem CID:	8026817
Reduced:	SO2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	410.098352
ΔH_f, kcal/mol:	72.57
Dipole, Da:	5.58
IP(EA), eV:	-8.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N)OCC3=CC=CC=C3

DOS

IR

Vibrations