Geometry & MOs

Info

ID:	188731
PubChem CID:	77760626
Reduced:	ClO4N5C15H24 (1)
Stoich.:	AB4C5D15E24 (1)
Weight, g/mol:	556.232185
ΔH_f, kcal/mol:	-194.12
Dipole, Da:	9.08
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-3-oxo-2-(tritylamino)propyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=N2)NCCCC3C(=O)N(C(=O)N3)CC(=O)O.Cl

DOS

IR

Vibrations