Geometry & MOs

Info

ID:	82354
PubChem CID:	49855928
Reduced:	N2O4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	560.234493
ΔH_f, kcal/mol:	-150.95
Dipole, Da:	0.8
IP(EA), eV:	-8.85(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,5S)-3-benzyl-7-(4-methylphenyl)sulfonyloxy-9-[(1R)-1-phenylethyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CN(CC(N1[C@H](C)C2=CC=CC=C2)CC(=O)OCC)CC3=CC=CC=C3

DOS

IR

Vibrations