Geometry & MOs

Info

ID:	218544
PubChem CID:	85089599
Reduced:	N2O4C29H38 (1)
Stoich.:	A2B4C29D38 (1)
Weight, g/mol:	478.23868
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	4.36
IP(EA), eV:	-8.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-5,6,8-trihydroxy-4a-methyl-8b-phenylmethoxy-1,2a,3,4,5,6,8,8a-octahydronaphtho[2,1-b]oxet-7-one

Drug info:

PubChemData

Smile

CCC1C(CC2C1C=CC3C2CC4C3CC=CC(=O)NCCCC5C(=O)C(C(=O)C=C4)C(=O)N5)C

DOS

IR

Vibrations