Geometry & MOs

Info

ID:	388965
PubChem CID:	134990767
Reduced:	NO5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	558.228509
ΔH_f, kcal/mol:	-192.89
Dipole, Da:	6.14
IP(EA), eV:	-8.33(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R,6S,7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1(CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC)C(=O)OC

DOS

IR

Vibrations