Geometry & MOs

Info

ID:	157101
PubChem CID:	56422127
Reduced:	BrSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	5.4
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylbutanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(CC)C(=O)N

DOS

IR

Vibrations