Geometry & MOs

Info

ID:

419161

PubChem CID:

135107658

Reduced:

NO2C24H27 (1)

Stoich.:

AB2C24D27 (1)

Weight, g/mol:

748.315139

ΔHf, kcal/mol:

-62.35

Dipole, Da:

4.35

IP(EA), eV:

 -9.24(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18R)-12-benzyl-16-[2-(2-chloro-4-fluorophenyl)acetyl]-3,9,10-trimethyl-18-phenyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)C4CC5=CC=CC=C5C4

DOS

IR

Vibrations