Geometry & MOs

Info

ID:	48427
PubChem CID:	10547802
Reduced:	SiO5N6C14H20 (1)
Stoich.:	AB5C6D14E20 (1)
Weight, g/mol:	380.256274
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	8.1
IP(EA), eV:	-9.92(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3R,5R,8E,12S,13R,16S)-2-hydroxy-5,9,12,13-tetramethyl-4-oxatricyclo[10.3.1.03,5]hexadec-8-en-16-yl]methyl methyl carbonate

Drug info:

PubChemData

Smile

CC(=O)OC[Si](C)(C)CCCN1C=CC(=NC1=O)N2C=NC(=N2)[N+](=O)[O-]

DOS

IR

Vibrations