Geometry & MOs

Info

ID:	270023
PubChem CID:	103622415
Reduced:	ClSO3N4C12H13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	288.041607
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	7.22
IP(EA), eV:	-10.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(2-methylsulfonylethyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)S(=O)(=O)C2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations