Geometry & MOs

Info

ID:	46104
PubChem CID:	10521668
Reduced:	SO3N6C14H16 (1)
Stoich.:	AB3C6D14E16 (1)
Weight, g/mol:	348.103145
ΔH_f, kcal/mol:	31.29
Dipole, Da:	5.32
IP(EA), eV:	-9.22(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1COCCN1C2=NS(=O)N=C(C2=C(C#N)C#N)N3CCOCC3

DOS

IR

Vibrations