Geometry & MOs

Info

ID:

443081

PubChem CID:

135257632

Reduced:

NO6H35C37 (1)

Stoich.:

AB6C35D37 (1)

Weight, g/mol:

640.146662

ΔHf, kcal/mol:

-146.44

Dipole, Da:

5.92

IP(EA), eV:

 -9.0(-0.45)

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]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C2=COC=C2)C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations