Geometry & MOs

Info

ID:	132704
PubChem CID:	51403377
Reduced:	SO2N4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	93.07
Dipole, Da:	7.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.308527
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-tert-butyl-3-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)hydrazinyl]but-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC4=CC=CC=C43)[O-]

DOS

IR

Vibrations