Geometry & MOs

Info

ID:	396008
PubChem CID:	135027192
Reduced:	SO4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	438.159787
ΔH_f, kcal/mol:	-113.35
Dipole, Da:	4.83
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@H](CC(OC1=O)([C@H]2CCCC=C2)C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations