Geometry & MOs

Info

ID:	14080
PubChem CID:	403734
Reduced:	OSCl2N2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	350.00474
ΔH_f, kcal/mol:	8.76
Dipole, Da:	3.18
IP(EA), eV:	-9.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(4-chlorophenyl)-2-sulfanyl-4,5-dihydropyrimidin-6-one

Drug info:

PubChemData

Smile

C1C(N=C(N(C1=O)C2=CC=C(C=C2)Cl)S)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations