Geometry & MOs

Info

ID:	46154
PubChem CID:	10522573
Reduced:	BrSN2O2C14H21 (1)
Stoich.:	ABC2D2E14F21 (1)
Weight, g/mol:	281.111245
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	4.91
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-3-methyl-2-phenylsulfanylimidazol-3-ium

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCNS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations