Geometry & MOs

Info

ID:	142258
PubChem CID:	53006663
Reduced:	BrSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-29.76
Dipole, Da:	3.12
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NCCN2S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations