Geometry & MOs

Info

ID:	191695
PubChem CID:	78178869
Reduced:	ClON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	500.086449
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	3.62
IP(EA), eV:	-9.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetyl-4-oxo-1,3-diphenyl-2-sulfanylidene-4a,7a-dihydrothieno[2,3-d]pyrimidin-5-yl) benzoate

Drug info:

PubChemData

Smile

C1CC2C(CC1N)C(=O)CC(N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations