Geometry & MOs

Info

ID:	386000
PubChem CID:	134980500
Reduced:	OC19H24 (1)
Stoich.:	AB19C24 (1)
Weight, g/mol:	312.120903
ΔH_f, kcal/mol:	-9.24
Dipole, Da:	3.38
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S,4R,5R,6S)-5,6-bis(methoxycarbonyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]pentanoic acid

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H](C1(C)C)/C=C\C=C\C2=CC=CC=C2)C=O

DOS

IR

Vibrations