Geometry & MOs

Info

ID:	396241
PubChem CID:	135027843
Reduced:	BrO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	442.07797
ΔH_f, kcal/mol:	-118.18
Dipole, Da:	3.67
IP(EA), eV:	-9.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4S,6R)-4-(4-bromophenyl)-2-oxo-6-phenyl-6-prop-2-enyloxane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](C[C@@](OC1=O)(CC=C)C2=CC=CC=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations