Geometry & MOs

Info

ID:	1909
PubChem CID:	5318
Reduced:	SN2Cl3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	396.002153
ΔH_f, kcal/mol:	51.13
Dipole, Da:	3.01
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations