Geometry & MOs

Info

ID:	133006
PubChem CID:	51460995
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	419.100086
ΔH_f, kcal/mol:	79.2
Dipole, Da:	7.18
IP(EA), eV:	-8.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4R)-4-[(4-aminophenyl)sulfonylamino]-1-cyclohexyl-5-oxo-4-(trifluoromethyl)imidazol-2-olate

Drug info:

PubChemData

Smile

CC1=C2[C@@H](N(C(=O)C2=NN1)CCC3=CNC4=CC=CC=C43)C5=CC=CC=N5

DOS

IR

Vibrations