Geometry & MOs

Info

ID:	401634
PubChem CID:	135051921
Reduced:	BrSO2N5H12C14 (1)
Stoich.:	ABC2D5E12F14 (1)
Weight, g/mol:	333.140827
ΔH_f, kcal/mol:	77.19
Dipole, Da:	3.37
IP(EA), eV:	-9.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-2-hydroxybut-1-enyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N/N=C(\CN=[N+]=[N-])/C2=CC=C(C=C2)Br

DOS

IR

Vibrations