Geometry & MOs

Info

ID:	404977
PubChem CID:	135071986
Reduced:	ClO2N3H16C22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	338.191336
ΔH_f, kcal/mol:	83.77
Dipole, Da:	2.7
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypent-3-ynyl]-4-ethenyl-3-hydroxy-4-methyloxolan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(/C(=O)C3=CC=C(C=C3)Cl)\N=[N+]=[N-]

DOS

IR

Vibrations