Geometry & MOs

Info

ID:	14792
PubChem CID:	420806
Reduced:	NSO6H21C24 (1)
Stoich.:	ABC6D21E24 (1)
Weight, g/mol:	451.108959
ΔH_f, kcal/mol:	-168.38
Dipole, Da:	4.31
IP(EA), eV:	-8.75(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-(4-butylsulfonylphenoxy)-4-hydroxyanthracene-9,10-dione

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

DOS

IR

Vibrations