Geometry & MOs

Info

ID:	417105
PubChem CID:	135091385
Reduced:	SO7N9C38H47 (1)
Stoich.:	AB7C9D38E47 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-208.65
Dipole, Da:	5.83
IP(EA), eV:	-8.42(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(9H-fluoren-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC(=O)C=C(N5)C)C

DOS

IR

Vibrations