Geometry & MOs

Info

ID:	395064
PubChem CID:	135024556
Reduced:	N2O6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	318.186251
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	2.12
IP(EA), eV:	-10.6(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methoxyhex-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(C(C=C1[N+](=O)[O-])N)C(=O)O

DOS

IR

Vibrations