Geometry & MOs

Info

ID:

443047

PubChem CID:

135257532

Reduced:

SN2F5O6H43C45 (1)

Stoich.:

AB2C5D6E43F45 (1)

Weight, g/mol:

620.176819

ΔHf, kcal/mol:

-361.52

Dipole, Da:

4.88

IP(EA), eV:

 -9.3(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[1-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfanylamino]cyclopropanecarbonyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N(C)S(=O)(=O)C6=C(C(=C(C(=C6F)F)F)F)F

DOS

IR

Vibrations