Geometry & MOs

Info

ID:	52612
PubChem CID:	12015550
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	370.11436
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	1.75
IP(EA), eV:	-9.61(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,5S,8Z,12R,14R,15R,16S,18R)-2-bromo-14-methoxy-18-methyl-4,13-dioxatetracyclo[13.2.1.03,16.05,12]octadec-8-ene

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1C3O[C@@H]([C@@H](O3)CCC=C)CCC=C)C=C2

DOS

IR

Vibrations