Geometry & MOs

Info

ID:	261985
PubChem CID:	103264587
Reduced:	NO2F3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-222.25
Dipole, Da:	4.36
IP(EA), eV:	-9.74(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-(3-methylsulfinylbutylamino)but-2-enoate

Drug info:

PubChemData

Smile

CCC(CC#C)NCC(C(=O)O)C(F)(F)F

DOS

IR

Vibrations