Geometry & MOs

Info

ID:	292389
PubChem CID:	115001254
Reduced:	ClSN3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	238.100523
ΔH_f, kcal/mol:	84.79
Dipole, Da:	5.14
IP(EA), eV:	-9.39(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-enoxy-2-(2-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2=CN=NC(=N2)Cl

DOS

IR

Vibrations