Geometry & MOs

Info

ID:	213999
PubChem CID:	81065673
Reduced:	FN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	316.072907
ΔH_f, kcal/mol:	-169.24
Dipole, Da:	3.62
IP(EA), eV:	-9.02(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2-methyl-6-nitrophenyl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=C(C=C1)F

DOS

IR

Vibrations