Geometry & MOs

Info

ID:	159924
PubChem CID:	57298689
Reduced:	BrSO2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	445.145361
ΔH_f, kcal/mol:	-33.86
Dipole, Da:	6.79
IP(EA), eV:	-9.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[(dimethylamino)methyl]phenoxy]propylamino]-4-imino-N,N-dimethyl-1,1-dioxo-1,2-thiazole-5-sulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1C2=CC(=CC=C2)Br

DOS

IR

Vibrations