Geometry & MOs

Info

ID:	199550
PubChem CID:	79265822
Reduced:	SF3N3O3C10H12 (1)
Stoich.:	AB3C3D3E10F12 (1)
Weight, g/mol:	284.098391
ΔH_f, kcal/mol:	-261.79
Dipole, Da:	5.58
IP(EA), eV:	-9.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,4-oxazepane-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNC(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations