Geometry & MOs

Info

ID:	390905
PubChem CID:	135001521
Reduced:	SO2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	264.11503
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	1.97
IP(EA), eV:	-9.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,13-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,13-hexaen-8-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C(C)(C)C=O

DOS

IR

Vibrations