Geometry & MOs

Info

ID:	406682
PubChem CID:	135078347
Reduced:	NSO3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-27.75
Dipole, Da:	5.49
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(2-fluorophenyl)methylideneamino]propanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C(C)C)CC#CC2=CC=C(C=C2)OC

DOS

IR

Vibrations