Geometry & MOs

Info

ID:	209011
PubChem CID:	80612661
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	314.091198
ΔH_f, kcal/mol:	-137.64
Dipole, Da:	4.0
IP(EA), eV:	-8.83(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[thian-2-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1CCSC(C1)CNC(=O)N2CC(C2)CC(=O)O

DOS

IR

Vibrations