Geometry & MOs

Info

ID:

443108

PubChem CID:

135257722

Reduced:

SN2F5O5H29C30 (1)

Stoich.:

AB2C5D5E29F30 (1)

Weight, g/mol:

586.182573

ΔHf, kcal/mol:

-367.44

Dipole, Da:

7.79

IP(EA), eV:

 -9.41(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-(3H-benzimidazol-5-yl)-N-[(4-cyclohexylphenyl)methyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfanylazetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)NS(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations