Geometry & MOs

Info

ID:	399309
PubChem CID:	135039583
Reduced:	NOSCl2C9H13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	2.02
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-methyl-1-propan-2-ylimidazole-2-thione

Drug info:

PubChemData

Smile

CCC(C(=O)N\1CCS/C1=C\C)(Cl)Cl

DOS

IR

Vibrations