Geometry & MOs

Info

ID:	49499
PubChem CID:	11533123
Reduced:	O4N5H23C27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	481.178376
ΔH_f, kcal/mol:	-63.01
Dipole, Da:	2.96
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[2-[7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)CC1=CN(C2=C1C=CN=C2)CC(=O)NC3=CC4=C(CC5(C4)C6=C(NC5=O)N=CC=C6)C=C3

DOS

IR

Vibrations