Geometry & MOs

Info

ID:	258646
PubChem CID:	103155909
Reduced:	FNOC6H8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	290.130028
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	4.53
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(CC(=O)NCC1=C(C=CC(=C1)F)F)CN

DOS

IR

Vibrations