Geometry & MOs

Info

ID:	390046
PubChem CID:	134996799
Reduced:	NSO6C15H15 (1)
Stoich.:	ABC6D15E15 (1)
Weight, g/mol:	671.210661
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	7.21
IP(EA), eV:	-10.43(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-3-(triphenyl-lambda5-phosphanylidene)butanedioate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C1=NS(=O)(=O)C2=CC=CC=C21)/C(=O)OCC

DOS

IR

Vibrations