Geometry & MOs

Info

ID:	50610
PubChem CID:	12013166
Reduced:	O2S2N5C13H17 (1)
Stoich.:	A2B2C5D13E17 (1)
Weight, g/mol:	353.098017
ΔH_f, kcal/mol:	-22.8
Dipole, Da:	7.64
IP(EA), eV:	-8.21(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 11-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

DOS

IR

Vibrations