Geometry & MOs

Info

ID:

443077

PubChem CID:

135257621

Reduced:

ON3F4H37C41 (1)

Stoich.:

AB3C4D37E41 (1)

Weight, g/mol:

638.150999

ΔHf, kcal/mol:

-98.98

Dipole, Da:

3.5

IP(EA), eV:

 -8.98(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=C(C(=C(C=C3)C=N)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)F)C(=O)C(F)(F)F

DOS

IR

Vibrations