Geometry & MOs

Info

ID:	440775
PubChem CID:	135231413
Reduced:	SO2F3N3H16C20 (1)
Stoich.:	AB2C3D3E16F20 (1)
Weight, g/mol:	138.115698
ΔH_f, kcal/mol:	-161.85
Dipole, Da:	4.24
IP(EA), eV:	-8.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(Z)-2-(ethylideneamino)ethenyl]but-2-en-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC(F)(F)F)SC2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations