Geometry & MOs

Info

ID:	190388
PubChem CID:	77995591
Reduced:	N2O7C15H18 (1)
Stoich.:	A2B7C15D18 (1)
Weight, g/mol:	550.311451
ΔH_f, kcal/mol:	-254.09
Dipole, Da:	8.51
IP(EA), eV:	-8.86(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-4,7-dimethyl-1a-propan-2-yl-2,3,4a,5,6,7,7a,7b-octahydroazuleno[4,5-b]oxiren-3-yl) 2-[tert-butyl(diphenyl)silyl]oxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=CNC(CO)C(=O)O)C(=O)C(=C1)C=NC(CO)C(=O)O

DOS

IR

Vibrations