Geometry & MOs

Info

ID:	53500
PubChem CID:	14716379
Reduced:	SN2O3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	293.033349
ΔH_f, kcal/mol:	-108.32
Dipole, Da:	2.89
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-sulfanyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC(CS)C(=O)O

DOS

IR

Vibrations