Geometry & MOs

Info

ID:

327957

PubChem CID:

126691513

Reduced:

F2N3O5C33H39 (1)

Stoich.:

A2B3C5D33E39 (1)

Weight, g/mol:

1346.766531

ΔHf, kcal/mol:

-211.96

Dipole, Da:

3.89

IP(EA), eV:

 -8.63(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28Z,30S,32S,35R)-30-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methoxy]-1,18-dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C[C@@H]1C2=CC(=C(C=C2)OC)C3=C(N=C(C=C3)N4CCC4)CN5[C@H]([C@H](OC5O)C(=C)/C=C(\C=C(/C)\F)/F)C

DOS

IR

Vibrations