Geometry & MOs

Info

ID:	270109
PubChem CID:	103628490
Reduced:	F2O2H3C6 (2)
Stoich.:	A2B2C3D6 (2)
Weight, g/mol:	261.022642
ΔH_f, kcal/mol:	-275.46
Dipole, Da:	4.41
IP(EA), eV:	-10.3(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1COC2=C(C(=CC(=C2F)F)F)F)C(=O)O

DOS

IR

Vibrations