Geometry & MOs

Info

ID:	34256
PubChem CID:	7890533
Reduced:	SN2O7H14C15 (1)
Stoich.:	AB2C7D14E15 (1)
Weight, g/mol:	335.082744
ΔH_f, kcal/mol:	-153.81
Dipole, Da:	8.58
IP(EA), eV:	-10.09(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-phenylethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations