Geometry & MOs

Info

ID:

417808

PubChem CID:

135102787

Reduced:

SN2O4C15H22 (1)

Stoich.:

AB2C4D15E22 (1)

Weight, g/mol:

675.363199

ΔHf, kcal/mol:

-153.53

Dipole, Da:

7.8

IP(EA), eV:

 -9.35(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-14-(1-phenylcyclopropanecarbonyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations