Geometry & MOs

Info

ID:	6542
PubChem CID:	68837
Reduced:	NO10C26H27 (1)
Stoich.:	AB10C26D27 (1)
Weight, g/mol:	513.163496
ΔH_f, kcal/mol:	-384.88
Dipole, Da:	7.96
IP(EA), eV:	-9.4(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)O

DOS

IR

Vibrations