Geometry & MOs

Info

ID:

59282

PubChem CID:

24775877

Reduced:

ClPN6O8C21H24 (1)

Stoich.:

ABC6D8E21F24 (1)

Weight, g/mol:

377.235479

ΔHf, kcal/mol:

-301.98

Dipole, Da:

0.91

IP(EA), eV:

 -9.2(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,6R,8R,11S,12S,15E,16S)-2,16-dimethyl-15-(pyridin-2-ylmethylidene)-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NP(=O)(OC[C@]12CO[C@H]([C@H]1O)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)OC5=CC=C(C=C5)Cl

DOS

IR

Vibrations