Geometry & MOs

Info

ID:	206869
PubChem CID:	80314312
Reduced:	FSN3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	6.82
Dipole, Da:	3.05
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCNC2=C(C=CC=N2)C(=S)N

DOS

IR

Vibrations