Geometry & MOs

Info

ID:	199549
PubChem CID:	79265466
Reduced:	SF3N3O4C10H14 (1)
Stoich.:	AB3C3D4E10F14 (1)
Weight, g/mol:	311.055147
ΔH_f, kcal/mol:	-311.61
Dipole, Da:	9.16
IP(EA), eV:	-9.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCN1C=C(N=C1C)S(=O)(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations