Geometry & MOs

Info

ID:

443115

PubChem CID:

135257748

Reduced:

SN3O3F6H25C28 (1)

Stoich.:

AB3C3D6E25F28 (1)

Weight, g/mol:

760.179712

ΔHf, kcal/mol:

-289.97

Dipole, Da:

2.76

IP(EA), eV:

 -9.37(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-chloro-4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=C(C=C(C=C3)C(=O)NO)F)C(=O)CNSC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations