Geometry & MOs

Info

ID:	435934
PubChem CID:	135192890
Reduced:	ClFON5C21H21 (1)
Stoich.:	ABCD5E21F21 (1)
Weight, g/mol:	712.298068
ΔH_f, kcal/mol:	29.52
Dipole, Da:	4.49
IP(EA), eV:	-9.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]methyl]-4-(3-methylsulfonylpropyl)piperazine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N2C(=NN=C2N3CCC(C3)C4=C(C=C(C=C4)F)Cl)C5CC5

DOS

IR

Vibrations