Geometry & MOs

Info

ID:	264716
PubChem CID:	103485193
Reduced:	NSF2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-150.23
Dipole, Da:	1.18
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CSC(=N1)C2=CC(=CC=C2)C(F)F

DOS

IR

Vibrations