Geometry & MOs

Info

ID:	314530
PubChem CID:	126622061
Reduced:	SN2O4C30H39 (1)
Stoich.:	AB2C4D30E39 (1)
Weight, g/mol:	560.13444
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	8.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751304
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonamido)propyl-[3-(4-benzoylphenoxy)propyl]-dimethylazanium;bromide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC[N+](C)(C)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations