Geometry & MOs

Info

ID:	258307
PubChem CID:	103152802
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	300.075764
ΔH_f, kcal/mol:	-161.31
Dipole, Da:	9.22
IP(EA), eV:	-9.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-fluoro-5-nitrobenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1CC2=CC=CC=C2S1

DOS

IR

Vibrations