Geometry & MOs

Info

ID:

443082

PubChem CID:

135257650

Reduced:

SN2O5F6H26C30 (1)

Stoich.:

AB2C5D6E26F30 (1)

Weight, g/mol:

592.181905

ΔHf, kcal/mol:

-390.42

Dipole, Da:

6.62

IP(EA), eV:

 -9.13(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfanylamino]acetyl]amino]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=C(C=C(C=C3)C(=O)O)F)C(=O)[C@H]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations