Geometry & MOs

Info

ID:

16473

PubChem CID:

470381

Reduced:

N5O16C47H83 (1)

Stoich.:

A5B16C47D83 (1)

Weight, g/mol:

973.583482

ΔHf, kcal/mol:

-693.95

Dipole, Da:

6.91

IP(EA), eV:

 -8.99(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S,5R,6R,7R,9S,11R,12R,13R,14S)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;pyridine-4-carbohydrazide

Drug info:

PubChemData

Smile

CC[C@H]1[C@]([C@@H]([C@@H](C(=NOCOCCOC)[C@H](C[C@@]([C@@H]([C@@H]([C@@H]([C@@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C1=CN=CC=C1C(=O)NN

DOS

IR

Vibrations