Geometry & MOs

Info

ID:

415026

PubChem CID:

135088006

Reduced:

ClFN4C20H24 (1)

Stoich.:

ABC4D20E24 (1)

Weight, g/mol:

651.338047

ΔHf, kcal/mol:

-0.24

Dipole, Da:

1.86

IP(EA), eV:

 -8.48(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations