Geometry & MOs

Info

ID:

421426

PubChem CID:

135115966

Reduced:

N2S3O5C11H18 (1)

Stoich.:

A2B3C5D11E18 (1)

Weight, g/mol:

685.395168

ΔHf, kcal/mol:

-172.75

Dipole, Da:

5.14

IP(EA), eV:

 -9.55(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-[3-(2-ethylimidazol-1-yl)propanoyl]-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations