Geometry & MOs

Info

ID:

418691

PubChem CID:

135106572

Reduced:

SN2O6C15H22 (1)

Stoich.:

AB2C6D15E22 (1)

Weight, g/mol:

605.321334

ΔHf, kcal/mol:

-228.58

Dipole, Da:

6.06

IP(EA), eV:

 -9.2(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-[(2R)-2-methoxy-2-phenylacetyl]-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=CC(=C2)OC)O

DOS

IR

Vibrations