Geometry & MOs

Info

ID:	217152
PubChem CID:	85087343
Reduced:	SeO2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	337.137281
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	4.03
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-nitro-3-(1,2,3,4,5-pentahydroxypentyl)cyclohexyl] acetate

Drug info:

PubChemData

Smile

CC1(C(C(=O)O1)(C)[Se]C2=CC=CC=C2)C3CCCCC3

DOS

IR

Vibrations