Geometry & MOs

Info

ID:

419213

PubChem CID:

135107750

Reduced:

SN2O4C18H22 (1)

Stoich.:

AB2C4D18E22 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-125.72

Dipole, Da:

4.82

IP(EA), eV:

 -9.11(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-(4-methoxyquinoline-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

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations