Geometry & MOs

Info

ID:

441730

PubChem CID:

135242126

Reduced:

SN4F5O5H29C30 (1)

Stoich.:

AB4C5D5E29F30 (1)

Weight, g/mol:

833.255798

ΔHf, kcal/mol:

-346.77

Dipole, Da:

8.29

IP(EA), eV:

 -9.46(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(4-cyclohexylphenyl)methyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-N-[3-phenylmethoxy-4-(phenylmethoxycarbamoyl)phenyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=C(C=C1)N(CC2=NC=C(C=C2)C3CCCCC3)C(=O)[C@H]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F)O

DOS

IR

Vibrations