Geometry & MOs

Info

ID:	302588
PubChem CID:	124385207
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	4.96
IP(EA), eV:	-9.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations