Geometry & MOs

Info

ID:	392254
PubChem CID:	135013932
Reduced:	O3C22H24 (1)
Stoich.:	A3B22C24 (1)
Weight, g/mol:	412.264501
ΔH_f, kcal/mol:	-112.58
Dipole, Da:	1.67
IP(EA), eV:	-8.91(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,6S,9S)-6-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-10-oxabicyclo[7.1.0]decane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=CC=CC(=C2C3=C(C=CC=C3C1)C)C)C(=O)C

DOS

IR

Vibrations