Geometry & MOs

Info

ID:	225470
PubChem CID:	85787071
Reduced:	SO2N3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	296.984955
ΔH_f, kcal/mol:	50.76
Dipole, Da:	1.67
IP(EA), eV:	-9.13(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C=C(C2=O)NNC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations