Geometry & MOs

Info

ID:	164563
PubChem CID:	74417072
Reduced:	SO2N6C26H29 (1)
Stoich.:	AB2C6D26E29 (1)
Weight, g/mol:	507.22704
ΔH_f, kcal/mol:	72.68
Dipole, Da:	1.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903687
Charge, e:	0

Chem-info

IUPAC name:

N-(9H-fluoren-9-yl)-6-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NC4CC[NH+](C4)CC5=CC=CC=C5)COC

DOS

IR

Vibrations