Geometry & MOs

Info

ID:	188519
PubChem CID:	77726848
Reduced:	N2O5C20H36 (1)
Stoich.:	A2B5C20D36 (1)
Weight, g/mol:	540.277027
ΔH_f, kcal/mol:	-247.07
Dipole, Da:	3.09
IP(EA), eV:	-9.71(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dioxo-9-(2-phenylethyl)-3-[4-phenyl-4-(sulfinoamino)butyl]-1-propyl-1,4,9-triazaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CCCCCC1(CC(=NO1)C(C(C)C)NC(=O)OC(C)(C)C)C(=O)OCC

DOS

IR

Vibrations