Geometry & MOs

Info

ID:	131324
PubChem CID:	51191143
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	317.156184
ΔH_f, kcal/mol:	25.91
Dipole, Da:	5.51
IP(EA), eV:	-8.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide

Drug info:

PubChemData

Smile

CN1C(=CN=C1SCC(=O)NCC=C)C2=CC=CC=C2

DOS

IR

Vibrations