Geometry & MOs

Info

ID:	258351
PubChem CID:	103153117
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	269.106336
ΔH_f, kcal/mol:	-169.26
Dipole, Da:	4.23
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations