Geometry & MOs

Info

ID:

417866

PubChem CID:

135102937

Reduced:

SN2O2C19H24 (1)

Stoich.:

AB2C2D19E24 (1)

Weight, g/mol:

642.337712

ΔHf, kcal/mol:

-61.98

Dipole, Da:

3.35

IP(EA), eV:

 -8.79(-0.09)

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-[(2R)-5-oxopyrrolidine-2-carbonyl]-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CNC(=O)CCSCC2=CC=CC=C2)OC)C

DOS

IR

Vibrations