Geometry & MOs

Info

ID:

443058

PubChem CID:

135257564

Reduced:

SN2F5O6H25C29 (1)

Stoich.:

AB2C5D6E25F29 (1)

Weight, g/mol:

627.146248

ΔHf, kcal/mol:

-393.71

Dipole, Da:

8.78

IP(EA), eV:

 -9.41(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(5-cyclohexylpyridin-2-yl)methyl-[2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)O)O)C(=O)[C@H]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations