Geometry & MOs

Info

ID:	10115
PubChem CID:	97613
Reduced:	FS2N3O6C7H12 (1)
Stoich.:	AB2C3D6E7F12 (1)
Weight, g/mol:	317.015156
ΔH_f, kcal/mol:	-244.09
Dipole, Da:	3.96
IP(EA), eV:	-10.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoroethyl)-1-nitroso-3-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea

Drug info:

PubChemData

Smile

C1C(CS(=O)(=O)CS1(=O)=O)NC(=O)N(CCF)N=O

DOS

IR

Vibrations