Geometry & MOs

Info

ID:	258386
PubChem CID:	103153384
Reduced:	ClNF2O4C12H12 (1)
Stoich.:	ABC2D4E12F12 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-250.8
Dipole, Da:	7.74
IP(EA), eV:	-10.17(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-3-methylbenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1F)Cl)F

DOS

IR

Vibrations