Geometry & MOs

Info

ID:	410833
PubChem CID:	135083634
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	184.047748
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	4.8
IP(EA), eV:	-8.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-(15N)azanyl-4,4,4-trifluorobut-2-enoate

Drug info:

PubChemData

Smile

C1COCCN1/C=N\C(=S)N2CCOCC2

DOS

IR

Vibrations