Geometry & MOs

Info

ID:	146599
PubChem CID:	53713918
Reduced:	F2N2O5H12C15 (1)
Stoich.:	A2B2C5D12E15 (1)
Weight, g/mol:	206.072513
ΔH_f, kcal/mol:	-241.71
Dipole, Da:	5.07
IP(EA), eV:	-10.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(4-hydroxybutyl)-2-nitroethanimidothioate

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)OCC2=CC=CC3=C2C(=O)OC3)OC(F)F

DOS

IR

Vibrations