Geometry & MOs

Info

ID:	67617
PubChem CID:	46506825
Reduced:	FON3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	351.107519
ΔH_f, kcal/mol:	13.43
Dipole, Da:	5.38
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-sulfanylidene-3-thiophen-2-yl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC2=C3C(=CN=C2C=C1)C(=NN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations