Geometry & MOs

Info

ID:	58299
PubChem CID:	24697599
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	265.038434
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	5.1
IP(EA), eV:	-8.56(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOCCOC(C)C(=O)NC1=CC=C(C=C1)C(=S)N

DOS

IR

Vibrations