Geometry & MOs

Info

ID:	9853
PubChem CID:	93926
Reduced:	ClSN2O3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	348.033541
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	1.05
IP(EA), eV:	-8.26(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diamino-2-chloro-3-(2-hydroxyethylsulfanyl)anthracene-9,10-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)SCCO)Cl)N

DOS

IR

Vibrations