Geometry & MOs

Info

ID:	52600
PubChem CID:	12015535
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	520.220103
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	1.87
IP(EA), eV:	-9.05(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(2,10-ditert-butyl-6-sulfanylidene-[1,2]benzoxaphospholo[2,3-b][1,2]benzoxaphosphol-11b-yl)phenol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]([C@H]2CCCC[C@@H]2N1)(C(=O)C)NC(=O)C

DOS

IR

Vibrations