Geometry & MOs

Info

ID:	387618
PubChem CID:	134986188
Reduced:	NOH4F5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	255.104148
ΔH_f, kcal/mol:	-240.98
Dipole, Da:	1.83
IP(EA), eV:	-10.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-cyano-3-[(1-iminothiolan-1-ylidene)amino]but-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OC(C(F)(F)F)(F)F

DOS

IR

Vibrations