Geometry & MOs

Info

ID:	284935
PubChem CID:	104084505
Reduced:	ClSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	270.070595
ΔH_f, kcal/mol:	32.16
Dipole, Da:	2.99
IP(EA), eV:	-8.49(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]-1-methylimidazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NC=C(N2C)CCl

DOS

IR

Vibrations