Geometry & MOs

Info

ID:	198774
PubChem CID:	79148427
Reduced:	FOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	242.088912
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	3.26
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(O1)CSC2=C(C=CC(=C2)F)N

DOS

IR

Vibrations