Geometry & MOs

Info

ID:

48702

PubChem CID:

11528244

Reduced:

ClN2O20C60H89 (1)

Stoich.:

AB2C20D60E89 (1)

Weight, g/mol:

1156.593043

ΔHf, kcal/mol:

-939.7

Dipole, Da:

4.12

IP(EA), eV:

 -8.62(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9R)-10-[(2S,4S,6S)-4-(dimethylamino)-5-[(2S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7-[(4S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC[C@]1(C[C@@H](C2=C(C1O[C@H]3C[C@@H](C([C@@H](O3)C)O[C@H]4CCC([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)OC8C[C@@H](C([C@@H](O8)C)O[C@H]9CC[C@@H]([C@@H](O9)C)OC1CC[C@@H]([C@@H](O1)C)O)N(C)C)O.Cl

DOS

IR

Vibrations