Geometry & MOs

Info

ID:	13913
PubChem CID:	399944
Reduced:	FS2O3N4H15C18 (1)
Stoich.:	AB2C3D4E15F18 (1)
Weight, g/mol:	418.056961
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	2.72
IP(EA), eV:	-8.77(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-(4-fluorophenyl)-6-methylsulfanyl-11-oxo-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CC(=O)N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations