Geometry & MOs

Info

ID:

7582

PubChem CID:

73446

Reduced:

Cl2N3O11H33C34 (1)

Stoich.:

A2B3C11D33E34 (1)

Weight, g/mol:

729.149214

ΔHf, kcal/mol:

-298.9

Dipole, Da:

10.01

IP(EA), eV:

 -8.94(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-[(2S,4S)-4-[(2S,4R,5R,6R)-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-hydroxyethylidene]amino]-3,4-dichlorobenzamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC(=C(C=C6)Cl)Cl)CO)O)N)O

DOS

IR

Vibrations