Geometry & MOs

Info

ID:	67823
PubChem CID:	46507245
Reduced:	FO2N5C13H14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	304.008868
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	3.52
IP(EA), eV:	-9.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(furan-2-ylmethyl)-12-sulfanylidene-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-7-one

Drug info:

PubChemData

Smile

CCO/C=N/C1=C(N=NN1CC2=CC=C(C=C2)F)C(=O)N

DOS

IR

Vibrations