Geometry & MOs

Info

ID:	380631
PubChem CID:	134971129
Reduced:	S2O9C24H24 (1)
Stoich.:	A2B9C24D24 (1)
Weight, g/mol:	384.14666
ΔH_f, kcal/mol:	-312.44
Dipole, Da:	8.05
IP(EA), eV:	-10.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(2S,4S)-7-diphenylphosphoryl-2,4-dimethyl-2,3,4,6-tetrahydro-1,5-benzodioxepin-6-ide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OCC2=COC=C2COC(=O)CS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations