Geometry & MOs

Info

ID:	413713
PubChem CID:	135086663
Reduced:	ClSF3O3C9H16 (1)
Stoich.:	ABC3D3E9F16 (1)
Weight, g/mol:	474.134635
ΔH_f, kcal/mol:	-321.29
Dipole, Da:	3.94
IP(EA), eV:	-10.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-3-[3-methyl-4-oxo-4-(1-phenylimidazol-2-yl)butyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCC[C@H]([C@H](CCC)Cl)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations