Geometry & MOs

Info

ID:	45026
PubChem CID:	10507303
Reduced:	ClN3O4C33H34 (1)
Stoich.:	AB3C4D33E34 (1)
Weight, g/mol:	526.509242
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	1.35
IP(EA), eV:	-9.44(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

9-methoxy-9-[(Z)-16-(9-methoxy-9-boranuidabicyclo[3.3.1]nonan-9-yl)hexadec-8-enyl]-9-boranuidabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)C#N)Cl)C(=O)N3CCC(CC3)CC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations