Geometry & MOs

Info

ID:

421557

PubChem CID:

135116202

Reduced:

F2N2O3C16H20 (1)

Stoich.:

A2B2C3D16E20 (1)

Weight, g/mol:

607.336984

ΔHf, kcal/mol:

-181.45

Dipole, Da:

5.5

IP(EA), eV:

 -9.07(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-[2-(3-hydroxy-1-adamantyl)acetyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=C(C=CC(=C3F)F)OC

DOS

IR

Vibrations