Geometry & MOs

Info

ID:	381944
PubChem CID:	134972814
Reduced:	NO5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	568.260708
ΔH_f, kcal/mol:	-224.63
Dipole, Da:	3.48
IP(EA), eV:	-10.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-3-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-oxo-1-phenyl-2-phenylmethoxypropyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)C1=CCCCC1)NC(=O)OCC

DOS

IR

Vibrations