Geometry & MOs

Info

ID:	398482
PubChem CID:	135033479
Reduced:	S2N7O7C50H71 (1)
Stoich.:	A2B7C7D50E71 (1)
Weight, g/mol:	462.06224
ΔH_f, kcal/mol:	-191.18
Dipole, Da:	6.47
IP(EA), eV:	-8.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-bromo-5-(methoxymethyl)pyridin-4-yl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCN(CCCN(CCC3)S(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)CC6=CC(=CC=C6)NCCCOCCOCCOCCCN

DOS

IR

Vibrations