Geometry & MOs

Info

ID:	271079
PubChem CID:	103642911
Reduced:	BrSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	315.011426
ΔH_f, kcal/mol:	-36.79
Dipole, Da:	3.83
IP(EA), eV:	-9.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-ethylsulfonylethyl)-1-methylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=CC=C(C=C1)Br)N(C)C2CC2

DOS

IR

Vibrations