Geometry & MOs

Info

ID:	394346
PubChem CID:	135022794
Reduced:	FOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	625.234553
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	1.53
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5R,8S,9R)-2,2-dioxo-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-3,6-dioxa-2lambda6-thia-1-azaspiro[4.5]decane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC2=CC=CC=C2F

DOS

IR

Vibrations