Geometry & MOs

Info

ID:	396009
PubChem CID:	135027194
Reduced:	ClO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	434.209324
ΔH_f, kcal/mol:	-140.25
Dipole, Da:	3.56
IP(EA), eV:	-9.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4S)-6-[(1S)-cyclohex-2-en-1-yl]-4-(4-methoxyphenyl)-2-oxo-6-phenyloxane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](CC(OC1=O)([C@H]2CCCC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations