Geometry & MOs

Info

ID:

423976

PubChem CID:

135120917

Reduced:

SN2O5C13H20 (1)

Stoich.:

AB2C5D13E20 (1)

Weight, g/mol:

656.368619

ΔHf, kcal/mol:

-177.5

Dipole, Da:

1.87

IP(EA), eV:

 -9.91(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CCS(=O)(=O)C

DOS

IR

Vibrations