Geometry & MOs

Info

ID:

443071

PubChem CID:

135257600

Reduced:

SN2O3F6H26C29 (1)

Stoich.:

AB2C3D6E26F29 (1)

Weight, g/mol:

655.177548

ΔHf, kcal/mol:

-330.16

Dipole, Da:

2.61

IP(EA), eV:

 -9.03(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(2R)-3-amino-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoyl]-[(4-cyclohexylphenyl)methyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=C(C=C(C=C3)C(=O)O)F)SC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations