Geometry & MOs

Info

ID:

388943

PubChem CID:

134990684

Reduced:

ClSN8O10C37H49 (1)

Stoich.:

ABC8D10E37F49 (1)

Weight, g/mol:

673.27344

ΔHf, kcal/mol:

-441.9

Dipole, Da:

8.39

IP(EA), eV:

 -8.88(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(2S,4S)-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]-2,2-dimethoxyethyl] pentanoate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)N)OC(=O)C.Cl

DOS

IR

Vibrations