Geometry & MOs

Info

ID:	395260
PubChem CID:	135025036
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	403.199488
ΔH_f, kcal/mol:	-176.69
Dipole, Da:	5.32
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S,6R)-1-(2,3-dimethoxyphenyl)-6-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)cyclohex-2-en-1-yl]acetate

Drug info:

PubChemData

Smile

CN1C(COC1=O)[C@@H]2CC[C@H](C=C2C3=C(C(=CC=C3)OC)OC)O

DOS

IR

Vibrations