Geometry & MOs

Info

ID:

190977

PubChem CID:

78089237

Reduced:

ClO2F3N4H20C25 (1)

Stoich.:

AB2C3D4E20F25 (1)

Weight, g/mol:

772.342336

ΔHf, kcal/mol:

-135.35

Dipole, Da:

7.39

IP(EA), eV:

 -9.52(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

36-chloro-32,35-dihydroxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33,35,37-triene-2,9,12,19,26,29-hexone

Drug info:

PubChemData

Smile

CC1CCC(CN1C(=O)C2=C(C=CC(=C2)Cl)C3=NC=CC=N3)C4=NC5=C(O4)C=CC(=C5)C(F)(F)F

DOS

IR

Vibrations