Geometry & MOs

Info

ID:	393433
PubChem CID:	135020588
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	484.136947
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	6.66
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-1,5,7,12-tetrahydroxy-3-(hydroxymethyl)-6-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-5,6-dihydrobenzo[a]anthracene-8,11-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C(=C1OC)O)CN2C3=CC=CC=C3N=N2)OC

DOS

IR

Vibrations