Geometry & MOs

Info

ID:	168811
PubChem CID:	75021276
Reduced:	N2O2C15H20 (2)
Stoich.:	A2B2C15D20 (2)
Weight, g/mol:	589.164284
ΔH_f, kcal/mol:	-155.2
Dipole, Da:	4.45
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-(2-nitrophenoxy)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCN1C2CC(NC2C(=O)N(C1=O)CCC)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations