Geometry & MOs

Info

ID:

415823

PubChem CID:

135088824

Reduced:

ClSN2O5C15H21 (1)

Stoich.:

ABC2D5E15F21 (1)

Weight, g/mol:

708.330519

ΔHf, kcal/mol:

-190.38

Dipole, Da:

3.84

IP(EA), eV:

 -9.61(-0.58)

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-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-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)COC2=CC(=CC=C2)Cl

DOS

IR

Vibrations