Geometry & MOs

Info

ID:	219626
PubChem CID:	85154882
Reduced:	BrO2N4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	515.179146
ΔH_f, kcal/mol:	-19.17
Dipole, Da:	4.56
IP(EA), eV:	-9.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=O)N2CC(CC3=CC=CC=C3)CN4C=CN=C4)C5=CC(=CC=C5)Br

DOS

IR

Vibrations