Geometry & MOs

Info

ID:	83417
PubChem CID:	49857568
Reduced:	NO3H10C14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	450.062068
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	2.94
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-3-(3,4-diacetyloxyphenyl)sulfonylphenyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)C(=O)N(C3=C(C=C(C=C3)O)C(=O)O)N)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations