Geometry & MOs

Info

ID:	284933
PubChem CID:	104084467
Reduced:	SN2Cl3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	312.069927
ΔH_f, kcal/mol:	22.92
Dipole, Da:	3.43
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1-methylimidazole

Drug info:

PubChemData

Smile

CN1C(=CN=C1SCC2=C(C=C(C=C2)Cl)Cl)CCl

DOS

IR

Vibrations