Geometry & MOs

Info

ID:	218825
PubChem CID:	85090034
Reduced:	ClN2S3O6H19C20 (1)
Stoich.:	AB2C3D6E19F20 (1)
Weight, g/mol:	515.142761
ΔH_f, kcal/mol:	-156.87
Dipole, Da:	14.01
IP(EA), eV:	-10.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-2-methyl-6-[4-(4-nitrobenzoyl)phenoxy]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=N3)NS(=O)(=O)C

DOS

IR

Vibrations