Geometry & MOs

Info

ID:	160623
PubChem CID:	57389246
Reduced:	N2O6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	256.149471
ΔH_f, kcal/mol:	-158.83
Dipole, Da:	2.03
IP(EA), eV:	-8.88(-1.07)
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)pent-4-yn-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2C3=CC=CC=C3C(=O)N(C2=O)O)OC

DOS

IR

Vibrations