Geometry & MOs

Info

ID:	405697
PubChem CID:	135075023
Reduced:	SF3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-309.07
Dipole, Da:	2.1
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(E)-4-(2-methylphenyl)but-3-enyl]aziridine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCCCCOS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations