Geometry & MOs

Info

ID:	223361
PubChem CID:	85334914
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	249.051634
ΔH_f, kcal/mol:	32.58
Dipole, Da:	6.34
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-acetylhydrazinyl)-4-chloro-2-nitrosobut-2-enoate

Drug info:

PubChemData

Smile

CC(=C)COC1=CC=C(C=C1)C=NNC(=S)N

DOS

IR

Vibrations