Geometry & MOs

Info

ID:	258310
PubChem CID:	103152828
Reduced:	SN4O4C12H18 (1)
Stoich.:	AB4C4D12E18 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	-111.49
Dipole, Da:	5.23
IP(EA), eV:	-9.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(3-methyl-2-nitrobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CSC1=NN=CN1C2CC2

DOS

IR

Vibrations