Geometry & MOs

Info

ID:	16673
PubChem CID:	474623
Reduced:	SN3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	293.098669
ΔH_f, kcal/mol:	89.79
Dipole, Da:	2.66
IP(EA), eV:	-8.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-3-methyl-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)C

DOS

IR

Vibrations