Geometry & MOs

Info

ID:

417402

PubChem CID:

135093373

Reduced:

SO2N4C10H18 (1)

Stoich.:

AB2C4D10E18 (1)

Weight, g/mol:

709.299074

ΔHf, kcal/mol:

-45.63

Dipole, Da:

5.96

IP(EA), eV:

 -8.37(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-14-(6-chloroimidazo[1,2-a]pyridine-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

CCS(=O)(=O)CCNC1=NC=CN=C1N(C)C

DOS

IR

Vibrations