Geometry & MOs

Info

ID:	441714
PubChem CID:	135241680
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	653.161898
ΔH_f, kcal/mol:	-92.57
Dipole, Da:	9.49
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclohexylphenyl)methyl]-N-[3-hydroxy-4-(hydroxycarbamoyl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCC=C1C2=CC=C(C=C2)CNC3=CC(=C(C=C3)C(=O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations