Geometry & MOs

Info

ID:	213322
PubChem CID:	81063448
Reduced:	NF2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	319.037813
ΔH_f, kcal/mol:	-213.46
Dipole, Da:	5.25
IP(EA), eV:	-10.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations