Geometry & MOs

Info

ID:	44691
PubChem CID:	10505396
Reduced:	F3N3O8H16C21 (1)
Stoich.:	A3B3C8D16E21 (1)
Weight, g/mol:	495.039803
ΔH_f, kcal/mol:	-323.65
Dipole, Da:	10.68
IP(EA), eV:	-10.35(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dichloro-4-(dimethylamino)phenyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol

Drug info:

PubChemData

Smile

COCC1=C(C(N(C(=O)N1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C(=C3)F)F)F)C(=O)OC

DOS

IR

Vibrations