Geometry & MOs

Info

ID:	176550
PubChem CID:	76066025
Reduced:	ON6C27H34 (1)
Stoich.:	AB6C27D34 (1)
Weight, g/mol:	462.218843
ΔH_f, kcal/mol:	28.48
Dipole, Da:	3.06
IP(EA), eV:	-8.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-9-thia-2-azaspiro[4.5]decane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC2CNC(NC2=O)NCCCCN(CC3=CC=CC=C3)C4=CC=CC=N4

DOS

IR

Vibrations