Geometry & MOs

Info

ID:	402262
PubChem CID:	135055256
Reduced:	S2O3C10H18 (1)
Stoich.:	A2B3C10D18 (1)
Weight, g/mol:	565.294057
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	1.56
IP(EA), eV:	-8.49(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2S,5R,6S)-3-benzyl-7-morpholin-4-yl-8-phenyl-2-(2-phenylethyl)-10-oxa-3,9-diazatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)C1([S@](=O)CCC[S@]1=O)CC

DOS

IR

Vibrations