Geometry & MOs

Info

ID:	9250
PubChem CID:	87461
Reduced:	ClNSO6H12C20 (1)
Stoich.:	ABCD6E12F20 (1)
Weight, g/mol:	429.007386
ΔH_f, kcal/mol:	-144.97
Dipole, Da:	6.92
IP(EA), eV:	-8.9(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxybenzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4=CC=C(C=C4)S(=O)(=O)Cl)N

DOS

IR

Vibrations