Geometry & MOs

Info

ID:	176808
PubChem CID:	76101748
Reduced:	SiN2O4C28H48 (1)
Stoich.:	AB2C4D28E48 (1)
Weight, g/mol:	454.254166
ΔH_f, kcal/mol:	-269.98
Dipole, Da:	3.9
IP(EA), eV:	-8.8(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[4-(5-phenylpent-3-ynylsulfanyl)butyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(C2CCN(CC2)CC3=CC=CC=C3)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations