Geometry & MOs

Info

ID:

417595

PubChem CID:

135102186

Reduced:

SN2O6C16H24 (1)

Stoich.:

AB2C6D16E24 (1)

Weight, g/mol:

675.363199

ΔHf, kcal/mol:

-216.65

Dipole, Da:

5.86

IP(EA), eV:

 -8.41(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-14-(2,3-dihydro-1H-indene-2-carbonyl)-20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-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)C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations