Geometry & MOs

Info

ID:	44087
PubChem CID:	10500672
Reduced:	NSO4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	391.272259
ΔH_f, kcal/mol:	-181.75
Dipole, Da:	3.43
IP(EA), eV:	-9.24(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)SC[C@H]1CC2=CC=CC=C2CCCCCC[C@H](NC1=O)C(=O)OC

DOS

IR

Vibrations