Geometry & MOs

Info

ID:	169368
PubChem CID:	75093158
Reduced:	F2O2N4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	271.054611
ΔH_f, kcal/mol:	-131.02
Dipole, Da:	2.76
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloropyridin-3-yl)propyl-ethyl-oxo-lambda6-sulfanylidene]cyanamide

Drug info:

PubChemData

Smile

C1C(C(C(C1F)N2C=NC3=C2C(=CN=C3N)F)O)O

DOS

IR

Vibrations