Geometry & MOs

Info

ID:	198722
PubChem CID:	79141376
Reduced:	FNSH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	257.088578
ΔH_f, kcal/mol:	17.21
Dipole, Da:	1.67
IP(EA), eV:	-8.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-amino-3-fluorophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CSC3=CC(=C(C=C3)N)F

DOS

IR

Vibrations