Geometry & MOs

Info

ID:	16671
PubChem CID:	474620
Reduced:	SN3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	279.083019
ΔH_f, kcal/mol:	100.5
Dipole, Da:	2.19
IP(EA), eV:	-8.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-4-thia-11,13,15-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2,5,7(12),8,10,15,17-octaene

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)C3=CSC=C3C4=C1N=CC=C4

DOS

IR

Vibrations