Geometry & MOs

Info

ID:	14000
PubChem CID:	401379
Reduced:	NSO2H11C16 (2)
Stoich.:	ABC2D11E16 (2)
Weight, g/mol:	562.1021
ΔH_f, kcal/mol:	5.07
Dipole, Da:	5.08
IP(EA), eV:	-8.81(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoylsulfanyl-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidin-5-yl)ethenyl benzoate

Drug info:

PubChemData

Smile

C=C(C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations