Geometry & MOs

Info

ID:	258323
PubChem CID:	103152902
Reduced:	ClSN3O4C11H14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	282.085186
ΔH_f, kcal/mol:	-134.53
Dipole, Da:	7.65
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(3-nitrobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=NC(=NC=C1Cl)SC

DOS

IR

Vibrations