Geometry & MOs

Info

ID:	67381
PubChem CID:	46506379
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1H-imidazole-2-thione

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C

DOS

IR

Vibrations