Geometry & MOs

Info

ID:	83508
PubChem CID:	49857677
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	404.13509
ΔH_f, kcal/mol:	-141.98
Dipole, Da:	2.89
IP(EA), eV:	-8.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7S,10R)-14-bromo-15-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](CC[C@@H]1[C@@](CCCC1(C)C)(C)O)C2=CC3=C(O2)C=C(C=C3)OC

DOS

IR

Vibrations