Geometry & MOs

Info

ID:	51161
PubChem CID:	12013792
Reduced:	ClO3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	516.163162
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	4.23
IP(EA), eV:	-9.24(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 4-cyclopenta-1,3-dien-1-ylbenzoate

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@@](C1)([C@@]3(CCCC3=O)[C@H](C[C@]2(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5)O

DOS

IR

Vibrations