Geometry & MOs

Info

ID:	400173
PubChem CID:	135046196
Reduced:	SiO2C25H30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	549.38518
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	3.51
IP(EA), eV:	-9.07(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,4S)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] (E,5R)-5,7-dimethyloct-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CCC(=O)C4=CCC[C@H]34

DOS

IR

Vibrations