Geometry & MOs

Info

ID:

418477

PubChem CID:

135105100

Reduced:

FON3C18H22 (1)

Stoich.:

ABC3D18E22 (1)

Weight, g/mol:

698.323954

ΔHf, kcal/mol:

-51.39

Dipole, Da:

5.6

IP(EA), eV:

 -9.38(-0.19)

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]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(C)NC(=O)CN(C)CC2=CC=CC=C2F

DOS

IR

Vibrations