Geometry & MOs

Info

ID:	10447
PubChem CID:	102189
Reduced:	SN3O5H11C13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	321.041942
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	11.75
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonate;4-nitrobenzenediazonium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1[N+]#N)[N+](=O)[O-]

DOS

IR

Vibrations