Geometry & MOs

Info

ID:	183086
PubChem CID:	76976795
Reduced:	SF2O2N3H5C9 (1)
Stoich.:	AB2C2D3E5F9 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	3.76
IP(EA), eV:	-9.54(-2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=O)N=NC2=S)OC(F)F

DOS

IR

Vibrations