Geometry & MOs

Info

ID:	126447
PubChem CID:	50965171
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	352.172168
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	4.35
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-1-(2-propan-2-ylsulfanylethyl)-5-(1-prop-2-enylpyrazol-4-yl)imidazole

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1C[C@@H](O[C@@H](C1)C2=NC=CS2)CC3=CC=CC=C3

DOS

IR

Vibrations