Geometry & MOs

Info

ID:	200173
PubChem CID:	79357626
Reduced:	ClFNSO2C10H11 (1)
Stoich.:	ABCDE2F10G11 (1)
Weight, g/mol:	234.987006
ΔH_f, kcal/mol:	-125.16
Dipole, Da:	4.55
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-2-chlorophenyl)sulfanyl-2-fluoroacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(F)SC1=C(C=C(C=C1)N)Cl

DOS

IR

Vibrations