Geometry & MOs

Info

ID:	402891
PubChem CID:	135057724
Reduced:	NSO3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	325.20018
ΔH_f, kcal/mol:	-62.93
Dipole, Da:	5.8
IP(EA), eV:	-8.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[16-azonia-17-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene-17,9'-9-boranuidabicyclo[3.3.1]nonane]

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)C4=CC=CC=C4C2=O

DOS

IR

Vibrations