Geometry & MOs

Info

ID:

421287

PubChem CID:

135115698

Reduced:

FNO5C24H28 (1)

Stoich.:

ABC5D24E28 (1)

Weight, g/mol:

623.331899

ΔHf, kcal/mol:

-237.31

Dipole, Da:

3.8

IP(EA), eV:

 -9.16(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-14-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4F)OC[C@@H]1O)O

DOS

IR

Vibrations