Geometry & MOs

Info

ID:	163210
PubChem CID:	57654778
Reduced:	N2C33H35 (2)
Stoich.:	A2B33C35 (2)
Weight, g/mol:	235.94493
ΔH_f, kcal/mol:	221.09
Dipole, Da:	26.38
IP(EA), eV:	-4.59(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-oxidoperoxysulfanylbenzenesulfonate

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C\C=C\C3=[N+](C4=CC=CC=C4C35CCCCC5)C)C)CC6=C7C=CC=C(C7=CC=C6)CC\8(C9=CC=CC=C9N(/C8=C\C=C\C1=[N+](C2=CC=CC=C2C11CCCCC1)C)C)C

DOS

IR

Vibrations