Geometry & MOs

Info

ID:	397821
PubChem CID:	135030793
Reduced:	ClO5N6C19H27 (1)
Stoich.:	AB5C6D19E27 (1)
Weight, g/mol:	314.100168
ΔH_f, kcal/mol:	-190.06
Dipole, Da:	7.78
IP(EA), eV:	-9.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,5S,6R)-2-acetyloxy-6-(acetyloxymethyl)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)N(C)CN1C=NC2=C1N=C(N=C2Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations