Geometry & MOs

Info

ID:

443042

PubChem CID:

135257516

Reduced:

SN3F5O5H36C37 (1)

Stoich.:

AB3C5D5E36F37 (1)

Weight, g/mol:

566.129869

ΔHf, kcal/mol:

-306.68

Dipole, Da:

2.99

IP(EA), eV:

 -9.22(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-(oxan-4-yl)phenyl]methyl-[2-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)NOCC4=CC=CC=C4)N(C)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations