Geometry & MOs

Info

ID:	443136
PubChem CID:	135257816
Reduced:	FON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	623.151333
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	9.07
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclohexylpyridin-2-yl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CN=C(C=C2)CNC3=C(C=C4C(=C3)CNC4=O)F

DOS

IR

Vibrations