Geometry & MOs

Info

ID:	160598
PubChem CID:	57389166
Reduced:	ClN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	328.188998
ΔH_f, kcal/mol:	-116.63
Dipole, Da:	4.53
IP(EA), eV:	-10.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(oxiran-2-yl)-5-trimethylsilylpent-4-yn-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=O)N(C2=O)O)C(=O)NCCCCl

DOS

IR

Vibrations