Geometry & MOs

Info

ID:	16675
PubChem CID:	474625
Reduced:	SN4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	280.078268
ΔH_f, kcal/mol:	108.38
Dipole, Da:	2.32
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-3-thia-5,11,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7(12),8,10,15,17-octaene

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)C3=C(C4=C1N=CC=C4)SC=N3

DOS

IR

Vibrations