Geometry & MOs

Info

ID:	302589
PubChem CID:	124385211
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	35.62
Dipole, Da:	5.22
IP(EA), eV:	-8.12(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R)-3-phenylbutyl]-1H-imidazole-2-thione

Drug info:

PubChemData

Smile

C[C@@H](CCN1C=CNC1=S)C2=CC=CC=C2

DOS

IR

Vibrations