Geometry & MOs

Info

ID:

186492

PubChem CID:

77439132

Reduced:

NO9C31H37 (1)

Stoich.:

AB9C31D37 (1)

Weight, g/mol:

583.241746

ΔHf, kcal/mol:

-359.07

Dipole, Da:

4.74

IP(EA), eV:

 -8.77(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(propan-2-ylamino)oxan-2-yl]oxy-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C(OC(CC1NC(C)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)C

DOS

IR

Vibrations