Geometry & MOs

Info

ID:

443096

PubChem CID:

135257682

Reduced:

SN2F5O5C40H41 (1)

Stoich.:

AB2C5D5E40F41 (1)

Weight, g/mol:

636.20812

ΔHf, kcal/mol:

-339.17

Dipole, Da:

4.42

IP(EA), eV:

 -8.72(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]-1-[(2,3,4,5,6-pentafluorophenyl)sulfinylamino]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C3CCCCC3)C(=O)C4(CC4)N(C)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F)OCC6=CC=CC=C6)O

DOS

IR

Vibrations