Geometry & MOs

Info

ID:	170947
PubChem CID:	75304939
Reduced:	NSO2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	596.298942
ΔH_f, kcal/mol:	-19.72
Dipole, Da:	1.54
IP(EA), eV:	-9.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-(4-methoxyphenoxy)ethylidene]-3a,4,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one

Drug info:

PubChemData

Smile

CC(=C)C(C1=CC=CC=C1)N2C(=O)C(SC2=O)C3=CC=CC=C3

DOS

IR

Vibrations