Geometry & MOs

Info

ID:	176493
PubChem CID:	76060240
Reduced:	O2C11H18 (2)
Stoich.:	A2B11C18 (2)
Weight, g/mol:	476.166056
ΔH_f, kcal/mol:	-197.88
Dipole, Da:	5.0
IP(EA), eV:	-9.87(0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-8aH-1,4-benzothiazin-4-ium-4-yl]methylphosphonic acid

Drug info:

PubChemData

Smile

CCCC#CCCCC1CCC(=O)C1CCCCC(C)(C)C(C(=O)O)O

DOS

IR

Vibrations