Geometry & MOs

Info

ID:	385883
PubChem CID:	134980233
Reduced:	SN2O7C19H28 (1)
Stoich.:	AB2C7D19E28 (1)
Weight, g/mol:	292.092283
ΔH_f, kcal/mol:	-245.39
Dipole, Da:	6.55
IP(EA), eV:	-9.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[(1S,6R)-6-(acetyloxymethyl)-6-methoxycarbonylcyclohex-2-en-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C[C@H]([C@](CC1)(C)C(=O)C)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C

DOS

IR

Vibrations