Geometry & MOs

Info

ID:	16674
PubChem CID:	474624
Reduced:	SN3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	307.114319
ΔH_f, kcal/mol:	79.3
Dipole, Da:	2.81
IP(EA), eV:	-8.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-3,5-dimethyl-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=C(SC(=C3C4=C1N=CC=C4)C)C

DOS

IR

Vibrations