Geometry & MOs

Info

ID:

435015

PubChem CID:

135177424

Reduced:

O2F3N6H19C20 (1)

Stoich.:

A2B3C6D19E20 (1)

Weight, g/mol:

567.113885

ΔHf, kcal/mol:

-87.77

Dipole, Da:

5.21

IP(EA), eV:

 -8.83(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,11R)-17-(cyclopropylmethyl)-2-hydroxy-8-methoxy-10-oxa-17-azahexacyclo[7.6.1.13,14.01,11.02,14.05,16]heptadeca-6,8,12-trien-12-yl]oxy-(2,3,4,5,6-pentafluorophenoxy)methanethione

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N2C(=NN=C2N3CC(C3)N4CCOC5=C4C=CC(=C5)F)C(F)F

DOS

IR

Vibrations