Geometry & MOs

Info

ID:	183420
PubChem CID:	77021586
Reduced:	FSO2N3C10H12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	283.079076
ΔH_f, kcal/mol:	-65.53
Dipole, Da:	4.14
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

CSCC(=O)NC1=CC(=C(C=C1)F)C(=NO)N

DOS

IR

Vibrations