Geometry & MOs

Info

ID:

297419

PubChem CID:

117617097

Reduced:

FPN3O10C28H35 (1)

Stoich.:

ABC3D10E28F35 (1)

Weight, g/mol:

909.361499

ΔHf, kcal/mol:

-405.21

Dipole, Da:

4.07

IP(EA), eV:

 -9.11(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14E,21S,27R,28R)-27,28-dihydroxy-21,28-dimethyl-23-naphthalen-1-yloxy-23-oxo-8-(tritylamino)-19,24,29-trioxa-2,4,7,9,11,22-hexaza-23lambda5-phosphatetracyclo[24.2.1.02,6.05,10]nonacosa-3,5(10),6,8,14-pentaen-20-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)OCCC/C=C\CCC(=O)N2C(=O)C=CN(C2=O)C3[C@]([C@@H](C(O3)CO[P@@](=O)(N1)OC4=CC=CC=C4)OC)(C)F

DOS

IR

Vibrations