Geometry & MOs

Info

ID:	127760
PubChem CID:	51014281
Reduced:	NSSiO4C36H59 (1)
Stoich.:	ABCD4E36F59 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-250.35
Dipole, Da:	4.76
IP(EA), eV:	-9.1(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-1,6,6-trimethyl-3-[(E)-2-phenylethenyl]-2,7-dioxabicyclo[2.2.1]heptan-5-one

Drug info:

PubChemData

Smile

CC(C)[C@H](CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)CS(=O)(=O)N(C3CCCCC3)C4CCCCC4)[Si](C)(C)C5=CC=CC=C5

DOS

IR

Vibrations