Geometry & MOs

Info

ID:

422461

PubChem CID:

135117874

Reduced:

ClFSN2O4C14H18 (1)

Stoich.:

ABCD2E4F14G18 (1)

Weight, g/mol:

727.369347

ΔHf, kcal/mol:

-193.44

Dipole, Da:

6.36

IP(EA), eV:

 -9.73(-0.86)

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-[3-(cyclopropanecarbonyl)indol-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations