Geometry & MOs

Info

ID:

15542

PubChem CID:

443567

Reduced:

NO7C25H43 (1)

Stoich.:

AB7C25D43 (1)

Weight, g/mol:

469.303953

ΔHf, kcal/mol:

-341.09

Dipole, Da:

7.9

IP(EA), eV:

 -8.99(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5S,7R,11R,12S)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C(=O)C=C[C@H]([C@H](OC(=O)[C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)[C@@H](C)O)C)C

DOS

IR

Vibrations