Geometry & MOs

Info

ID:	16672
PubChem CID:	474622
Reduced:	SN5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	345.104817
ΔH_f, kcal/mol:	141.7
Dipole, Da:	1.71
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-10-(1H-pyrazol-4-yl)-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=C(C=C4)C5=CNN=C5

DOS

IR

Vibrations