Geometry & MOs

Info

ID:	392785
PubChem CID:	135017969
Reduced:	NSO3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	350.227721
ΔH_f, kcal/mol:	-33.62
Dipole, Da:	7.16
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,4R,7R,8R,12R)-8-[tert-butyl(dimethyl)silyl]oxytetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C4CC(C3=C(C=C2)OC)C=C4

DOS

IR

Vibrations