Geometry & MOs

Info

ID:

84756

PubChem CID:

49869694

Reduced:

BrF2N2O2C39H59 (1)

Stoich.:

AB2C2D2E39F59 (1)

Weight, g/mol:

874.576605

ΔHf, kcal/mol:

-216.93

Dipole, Da:

8.08

IP(EA), eV:

 -7.33(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,4R,6R)-4-[[(3R,4S,5S,6R,7S,9R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7,12-dimethoxy-3,5,7,9,13-pentamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-2-hydroxy-2,6-dimethylcyclohexyl] N-(3-propan-2-yloxypropyl)carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=[N+](CCC2=C1C=CC(=C2OCCCCCCCC)N3CCOCC3)CC4=C(C=CC(=C4)F)F.[Br-]

DOS

IR

Vibrations