Geometry & MOs

Info

ID:	7782
PubChem CID:	74132
Reduced:	NSO6H15C21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	409.062008
ΔH_f, kcal/mol:	-161.16
Dipole, Da:	5.89
IP(EA), eV:	-8.32(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations