Geometry & MOs

Info

ID:	258349
PubChem CID:	103153107
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	289.051714
ΔH_f, kcal/mol:	-174.87
Dipole, Da:	2.9
IP(EA), eV:	-9.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(CC(=O)O)OC)C

DOS

IR

Vibrations