Geometry & MOs

Info

ID:

215587

PubChem CID:

85084948

Reduced:

N10O17C48H76 (1)

Stoich.:

A10B17C48D76 (1)

Weight, g/mol:

1066.321907

ΔHf, kcal/mol:

-730.02

Dipole, Da:

5.48

IP(EA), eV:

 -8.94(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethylidene]amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCC1CC(=O)C(=O)CNC(=O)C(NC(=O)C2CC(CN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NN1)C(C(=O)N)O)C(C(=O)N)O)CC3=CC=C(C=C3)O)CO)O)CO)O

DOS

IR

Vibrations