Geometry & MOs

Info

ID:	397727
PubChem CID:	135030628
Reduced:	BrO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	426.10419
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	3.08
IP(EA), eV:	-9.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-6-bromo-2,2-dimethyl-4-[3-[2-(2-methyl-1,3-dioxolan-2-yl)prop-2-enoxy]prop-1-ynyl]-1,3-dioxaspiro[4.5]dec-6-ene

Drug info:

PubChemData

Smile

CC(=O)C(=C)COCC#C[C@H]1[C@]2(CCCC=C2Br)OC(O1)(C)C

DOS

IR

Vibrations