Geometry & MOs

Info

ID:	395926
PubChem CID:	135026919
Reduced:	NO7C17H25 (1)
Stoich.:	AB7C17D25 (1)
Weight, g/mol:	426.159787
ΔH_f, kcal/mol:	-294.95
Dipole, Da:	2.44
IP(EA), eV:	-8.85(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S,6S)-4-(4-chlorophenyl)-2-oxo-6-phenyl-6-prop-2-enyloxane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H](C1=CC=C(C=C1)OCOCCOC)O)NC(=O)C

DOS

IR

Vibrations