Geometry & MOs

Info

ID:	5663
PubChem CID:	13454
Reduced:	NSO5C10H15 (1)
Stoich.:	ABC5D10E15 (1)
Weight, g/mol:	261.067094
ΔH_f, kcal/mol:	-158.22
Dipole, Da:	18.44
IP(EA), eV:	-8.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxycarbonylphenyl)azanium;methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)[NH3+].CS(=O)(=O)[O-]

DOS

IR

Vibrations