Geometry & MOs

Info

ID:	124147
PubChem CID:	50873523
Reduced:	Cl2N2O5H14C19 (1)
Stoich.:	A2B2C5D14E19 (1)
Weight, g/mol:	530.151158
ΔH_f, kcal/mol:	-150.53
Dipole, Da:	6.38
IP(EA), eV:	-8.8(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations