Geometry & MOs

Info

ID:	82607
PubChem CID:	49856238
Reduced:	OC2H2 (8)
Stoich.:	AB2C2 (8)
Weight, g/mol:	310.19328
ΔH_f, kcal/mol:	-296.27
Dipole, Da:	5.69
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,10R,11S,14S,16S,18S,19S)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-7,15-dione

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@H](C=C1C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations