Geometry & MOs

Info

ID:	296523
PubChem CID:	117581661
Reduced:	BrSN2O3C10H13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	318.00376
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	2.98
IP(EA), eV:	-9.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methylphenyl)methyl]-N-methylaziridine-1-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CNS(=O)(=O)N2CC2

DOS

IR

Vibrations