Geometry & MOs

Info

ID:	200172
PubChem CID:	79357540
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	263.018306
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	3.85
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-amino-2-chlorophenyl)sulfanyl-2-fluoroacetate

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)CNC(=O)C2=CC3=C(C=C2)C=CN3)C

DOS

IR

Vibrations