Geometry & MOs

Info

ID:	13666
PubChem CID:	396732
Reduced:	S2N3O3C25H29 (1)
Stoich.:	A2B3C3D25E29 (1)
Weight, g/mol:	483.165034
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	6.49
IP(EA), eV:	-8.92(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(diethylamino)ethylsulfanyl]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations