Geometry & MOs

Info

ID:	258385
PubChem CID:	103153382
Reduced:	NO5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	307.042292
ΔH_f, kcal/mol:	-243.49
Dipole, Da:	3.91
IP(EA), eV:	-9.77(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)NCC(CC(=O)O)OC)COC

DOS

IR

Vibrations