Geometry & MOs

Info

ID:	246642
PubChem CID:	103064245
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	242.091141
ΔH_f, kcal/mol:	-27.35
Dipole, Da:	8.82
IP(EA), eV:	-9.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-3-(thiolan-3-yl)-1H-imidazole-2-thione

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(C=CC=C3N2C4CCSC4)C(=O)O

DOS

IR

Vibrations