Geometry & MOs

Info

ID:	50641
PubChem CID:	12013203
Reduced:	NO6C14H19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	468.269586
ΔH_f, kcal/mol:	-224.56
Dipole, Da:	5.59
IP(EA), eV:	-9.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[3-[(1S,3R,5S)-5-tert-butyl-4,4-dimethyl-3-phenyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl]phenoxy]-dimethylsilane

Drug info:

PubChemData

Smile

CCO/C(=C\1/C(N(CCC1=O)C(=O)OC)C/C=C\C=O)/O

DOS

IR

Vibrations