Geometry & MOs

Info

ID:

416078

PubChem CID:

135089086

Reduced:

SN2O5C15H22 (1)

Stoich.:

AB2C5D15E22 (1)

Weight, g/mol:

641.299553

ΔHf, kcal/mol:

-193.34

Dipole, Da:

8.47

IP(EA), eV:

 -9.63(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations