Geometry & MOs

Info

ID:	23389
PubChem CID:	603310
Reduced:	BrO7H19C23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	486.03142
ΔH_f, kcal/mol:	-224.33
Dipole, Da:	3.01
IP(EA), eV:	-9.6(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dihydroxy-3-methoxy-6-methyl-9,10-dioxo-7,8-dihydro-5H-anthracen-1-yl) 4-bromobenzoate

Drug info:

PubChemData

Smile

CC1(CC2=C(CC1O)C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C4=CC=C(C=C4)Br)OC)O

DOS

IR

Vibrations