Geometry & MOs

Info

ID:

423059

PubChem CID:

135118855

Reduced:

SN2O5C16H24 (1)

Stoich.:

AB2C5D16E24 (1)

Weight, g/mol:

682.369013

ΔHf, kcal/mol:

-194.29

Dipole, Da:

1.51

IP(EA), eV:

 -8.93(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-14-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-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

CC1=CC=CC=C1OCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations