Geometry & MOs

Info

ID:	404677
PubChem CID:	135069160
Reduced:	NSO6H27C29 (1)
Stoich.:	ABC6D27E29 (1)
Weight, g/mol:	288.11503
ΔH_f, kcal/mol:	-162.12
Dipole, Da:	5.55
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(CC3C4=CC=CC=C42)(C(=O)OC)C(=O)OC)C5=CC=CC=C5

DOS

IR

Vibrations