Geometry & MOs

Info

ID:	16630
PubChem CID:	474036
Reduced:	OSCl2N2H22C24 (1)
Stoich.:	ABC2D2E22F24 (1)
Weight, g/mol:	456.08299
ΔH_f, kcal/mol:	16.71
Dipole, Da:	1.78
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,5-dichlorophenyl)sulfanyl-1-(naphthalen-1-ylmethyl)-4-propan-2-ylimidazol-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=N1)CO)CC2=CC=CC3=CC=CC=C32)SC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations