Geometry & MOs

Info

ID:	338461
PubChem CID:	127259153
Reduced:	ClFNSO2C9H9 (1)
Stoich.:	ABCDE2F9G9 (1)
Weight, g/mol:	314.073656
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	3.55
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-amino-4-fluoro-2-nitrophenyl)sulfanylcyclopentyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCSC1=C(C=C(C(=C1)N)F)Cl

DOS

IR

Vibrations