Geometry & MOs

Info

ID:	50608
PubChem CID:	12013164
Reduced:	O2S2Cl3N5C13H14 (1)
Stoich.:	A2B2C3D5E13F14 (1)
Weight, g/mol:	325.066717
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	5.01
IP(EA), eV:	-8.73(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-methyl-6-methylsulfanyl-3-thia-5,7,9,10,12-pentazatricyclo[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(NC=N2)C.C(Cl)(Cl)Cl

DOS

IR

Vibrations