Geometry & MOs

Info

ID:

181831

PubChem CID:

76800364

Reduced:

NO3C18H24 (2)

Stoich.:

AB3C18D24 (2)

Weight, g/mol:

558.310515

ΔHf, kcal/mol:

-253.74

Dipole, Da:

7.12

IP(EA), eV:

 -8.6(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[19-(3-fluoropropyl)-13-hydroxy-4,8,10,12,14,16-hexamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)CCC3=CC=CC=C3)O)C)C)OC(=O)N)C)C)O)C

DOS

IR

Vibrations