Geometry & MOs

Info

ID:

443125

PubChem CID:

135257778

Reduced:

SN2F3O6C45H45 (1)

Stoich.:

AB2C3D6E45F45 (1)

Weight, g/mol:

655.141162

ΔHf, kcal/mol:

-278.74

Dipole, Da:

6.14

IP(EA), eV:

 -9.13(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-4-[[(2R)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoyl]-[[4-(oxan-4-yl)phenyl]methyl]amino]-N-oxobenzamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)S(=O)(=O)C6=CC(=CC(=C6F)F)F

DOS

IR

Vibrations