Geometry & MOs

Info

ID:	177442
PubChem CID:	76185754
Reduced:	O3C11H11 (1)
Stoich.:	A3B11C11 (1)
Weight, g/mol:	481.125192
ΔH_f, kcal/mol:	-82.74
Dipole, Da:	1.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.035718
Charge, e:	0

Chem-info

IUPAC name:

9-amino-8-chloro-1,6,10,12,12a-pentahydroxy-6-methyl-7-(methylamino)-3,11-dioxo-4,4a,5,5a,11a,12-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C=CC(=O)O)C)[O-]

DOS

IR

Vibrations