Geometry & MOs

Info

ID:	218287
PubChem CID:	85089130
Reduced:	Cl2O6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	445.104267
ΔH_f, kcal/mol:	-261.87
Dipole, Da:	3.99
IP(EA), eV:	-9.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[3-(4-nitrophenyl)sulfonyloxy-4-oxopentanoyl]oxypentanoate

Drug info:

PubChemData

Smile

C1C(C(C(C1Cl)CC(=O)OCCCCO)C=CC(=O)COC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations