Geometry & MOs

Info

ID:

418475

PubChem CID:

135105086

Reduced:

ClNO4C19H20 (1)

Stoich.:

ABC4D19E20 (1)

Weight, g/mol:

608.27809

ΔHf, kcal/mol:

-119.92

Dipole, Da:

4.77

IP(EA), eV:

 -9.0(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-7-(2-methylsulfanylpyridine-3-carbonyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=CC=C(O4)Cl)OCC2

DOS

IR

Vibrations