Geometry & MOs

Info

ID:	170262
PubChem CID:	75214057
Reduced:	FSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	380.110732
ΔH_f, kcal/mol:	-138.02
Dipole, Da:	1.78
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3,4,8-tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-2,4,4a,9a-tetrahydro-1H-anthracen-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=NNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations