Geometry & MOs

Info

ID:	183437
PubChem CID:	77021603
Reduced:	FSO2N3C11H14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-70.27
Dipole, Da:	1.76
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations