Geometry & MOs

Info

ID:	46017
PubChem CID:	10520464
Reduced:	N2S3O4C10H16 (1)
Stoich.:	A2B3C4D10E16 (1)
Weight, g/mol:	330.201507
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	2.66
IP(EA), eV:	-9.4(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloct-6-yn-3-one

Drug info:

PubChemData

Smile

[3H]C([3H])([3H])[C@@H]1C[C@@H](C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)NCC

DOS

IR

Vibrations