Geometry & MOs

Info

ID:	83509
PubChem CID:	49857678
Reduced:	BrO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	3.65
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S,10R)-16-methoxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),13(18),14,16-tetraene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@](CCCC2(C)C)(C3=C1OC4=C3C=CC(=C4Br)OC)C

DOS

IR

Vibrations