Geometry & MOs

Info

ID:	144191
PubChem CID:	53329196
Reduced:	BrO3H6C7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	654.14645
ΔH_f, kcal/mol:	-171.25
Dipole, Da:	4.76
IP(EA), eV:	-9.24(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3aR,7aS)-7a-ethyl-6-oxo-2-(2,4,6-trimethylphenyl)-3a,7-dihydro-1,3-benzodioxol-4-yl]methyl]-3-bromo-5,8-bis(methoxymethoxy)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

COCOC1=C2C(=C(C=C1)OCOC)C(=O)C(=C(C2=O)Br)Br

DOS

IR

Vibrations