Geometry & MOs

Info

ID:	403082
PubChem CID:	135058659
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	431.157389
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	2.26
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,4',5,5-pentamethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,2'-3-oxa-5-azonia-2-boranuidabicyclo[4.4.0]deca-1(6),4,7,9-tetraene]-9'-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C/C(=N\OC)/C1=CC=CC=C1NC(=O)OC

DOS

IR

Vibrations