Geometry & MOs

Info

ID:	444784
PubChem CID:	135263540
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	341.018093
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	2.6
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(trifluoromethylsulfonyloxy)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C2=C(C(=CC=C2)C(=O)N)N

DOS

IR

Vibrations