Geometry & MOs

Info

ID:	77939
PubChem CID:	49679141
Reduced:	SN4O4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	271.141973
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	1.39
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,4-dioxaspiro[4.5]decan-3-ylmethylamino)-2-oxoacetate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CSC(=N3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations