Geometry & MOs

Info

ID:	283652
PubChem CID:	103995715
Reduced:	SF2N2O3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-213.02
Dipole, Da:	4.2
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxyethyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)NCC1=CC(=CC(=C1)F)F

DOS

IR

Vibrations