Geometry & MOs

Info

ID:

418984

PubChem CID:

135107260

Reduced:

ClN3O3C21H22 (1)

Stoich.:

AB3C3D21E22 (1)

Weight, g/mol:

644.332233

ΔHf, kcal/mol:

-44.75

Dipole, Da:

2.84

IP(EA), eV:

 -8.56(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CCC3=CC(=NO3)Cl)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations