Geometry & MOs

Info

ID:	218785
PubChem CID:	85089968
Reduced:	S2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	508.373657
ΔH_f, kcal/mol:	-107.8
Dipole, Da:	2.73
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CCC(=O)SCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CC

DOS

IR

Vibrations