Geometry & MOs

Info

ID:	406598
PubChem CID:	135078120
Reduced:	Cl3N3O26C52H54 (1)
Stoich.:	A3B3C26D52E54 (1)
Weight, g/mol:	430.05307
ΔH_f, kcal/mol:	-1056.49
Dipole, Da:	7.33
IP(EA), eV:	-9.73(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-diacetyloxy-2-methyl-6-phenylselanyloxan-3-yl) acetate

Drug info:

Smile

CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=N)C(Cl)(Cl)Cl)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N4C(=O)C5=CC=CC=C5C4=O)OC(=O)C)OC(=O)C)N6C(=O)C7=CC=CC=C7C6=O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations