Geometry & MOs

Info

ID:	403225
PubChem CID:	135059240
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	530.11241
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	4.21
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5S,6S)-5-bromo-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-7-oxabicyclo[4.2.0]oct-2-en-8-one

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)Cl)CNC(=O)C2=CC=CC=N2

DOS

IR

Vibrations