Geometry & MOs

Info

ID:	66211
PubChem CID:	46500435
Reduced:	NSO6H21C24 (1)
Stoich.:	ABC6D21E24 (1)
Weight, g/mol:	338.01837
ΔH_f, kcal/mol:	-140.49
Dipole, Da:	5.03
IP(EA), eV:	-8.44(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]anthracene-9,10-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations