Geometry & MOs

Info

ID:	178345
PubChem CID:	76313980
Reduced:	BrINSO2C13H21 (1)
Stoich.:	ABCDE2F13G21 (1)
Weight, g/mol:	334.04764
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	10.73
IP(EA), eV:	-7.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-bromophenyl)methylsulfonyl]propyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCCS(=O)(=O)CC1=CC=C(C=C1)Br.[I-]

DOS

IR

Vibrations