Geometry & MOs

Info

ID:	314534
PubChem CID:	126622070
Reduced:	SN2O4C27H33 (1)
Stoich.:	AB2C4D27E33 (1)
Weight, g/mol:	601.17357
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751165
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-[3-(4-benzoylphenoxy)propyl-dimethylazaniumyl]propyl-sulfinatoamino]-1,3,5-trimethylbenzene;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations