Geometry & MOs

Info

ID:	338460
PubChem CID:	127259152
Reduced:	SO2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	249.002656
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	4.11
IP(EA), eV:	-8.1(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-chloro-4-fluorophenyl)sulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCSC1=NC2=C(N1)C=C(C=C2)N

DOS

IR

Vibrations