Geometry & MOs

Info

ID:	225582
PubChem CID:	85856257
Reduced:	ClSN2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	43.24
Dipole, Da:	1.96
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-(3-nitrophenyl)-1H-imidazole-5-thione

Drug info:

PubChemData

Smile

CC1(C(=S)NC(=N1)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations