Geometry & MOs

Info

ID:

422310

PubChem CID:

135117615

Reduced:

FNO3C25H32 (1)

Stoich.:

ABC3D25E32 (1)

Weight, g/mol:

585.38902

ΔHf, kcal/mol:

-143.57

Dipole, Da:

6.47

IP(EA), eV:

 -8.13(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-14-(3-methylbut-2-enyl)-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC(=C(C=C3)OC)OCC4=CC=C(C=C4)F)O

DOS

IR

Vibrations