Geometry & MOs

Info

ID:	67733
PubChem CID:	46507058
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	486.173705
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	5.62
IP(EA), eV:	-8.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCC(CC4)C(=O)O

DOS

IR

Vibrations