Geometry & MOs

Info

ID:

50065

PubChem CID:

11539137

Reduced:

BrClOPN2C17H17 (1)

Stoich.:

ABCDE2F17G17 (1)

Weight, g/mol:

883.505506

ΔHf, kcal/mol:

-32.72

Dipole, Da:

5.37

IP(EA), eV:

-8.69(-0.21)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,6R,7S,8R,9R,11R,12E,13R,14R)-2-ethyl-6,9-dihydroxy-12-methoxyimino-1,5,7,9,11,13-hexamethyl-4,16-dioxo-15-[(E)-[(3R)-3-(4-pyridin-3-ylimidazol-1-yl)butylidene]amino]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1C[C@H]2CN([P@@](N2C1)OC3=C(C=C(C=C3)Cl)Br)C4=CC=CC=C4

DOS

IR

Vibrations