Geometry & MOs

Info

ID:	16628
PubChem CID:	474030
Reduced:	OSCl2N3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	421.078239
ΔH_f, kcal/mol:	-6.43
Dipole, Da:	1.29
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=N1)CO)CC2=CC=C(C=C2)N)SC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations