Geometry & MOs

Info

ID:

186342

PubChem CID:

77422359

Reduced:

ClO2N6C33H37 (1)

Stoich.:

AB2C6D33E37 (1)

Weight, g/mol:

557.189711

ΔHf, kcal/mol:

14.67

Dipole, Da:

7.85

IP(EA), eV:

 -8.39(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-(hydroxymethyl)-7-[5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C2CCC(CC2NN1)C3=C(N=C(N3)C(CC4=CC=CC=C4)NC(=O)NCC5=CC=CC=C5OC6=CC=CC=C6)Cl

DOS

IR

Vibrations