Geometry & MOs

Info

ID:

415560

PubChem CID:

135088556

Reduced:

ON6C16H26 (1)

Stoich.:

AB6C16D26 (1)

Weight, g/mol:

764.365739

ΔHf, kcal/mol:

13.55

Dipole, Da:

3.22

IP(EA), eV:

 -8.74(0.5)

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]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide

Drug info:

PubChemData

Smile

CCC(C(=O)N(CCN(C)C)CC1=C(NC=N1)C)N2C=CC=N2

DOS

IR

Vibrations