Geometry & MOs

Info

ID:	52497
PubChem CID:	12015379
Reduced:	N2O2H12C17 (1)
Stoich.:	A2B2C12D17 (1)
Weight, g/mol:	340.066383
ΔH_f, kcal/mol:	34.5
Dipole, Da:	1.82
IP(EA), eV:	-8.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-5-methylsulfanyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-triene-11-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC2=CC3=C(N=C21)OC4=CC=CC=C4N=C3

DOS

IR

Vibrations