Geometry & MOs

Info

ID:

379174

PubChem CID:

134356456

Reduced:

N2F3O5C24H33 (1)

Stoich.:

A2B3C5D24E33 (1)

Weight, g/mol:

698.281044

ΔHf, kcal/mol:

-366.66

Dipole, Da:

2.73

IP(EA), eV:

 -9.69(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]triazol-1-yl]-N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCC(C(=O)COC1=C(C=CC(=C1F)F)F)NC(=O)C2CCCC2

DOS

IR

Vibrations