Geometry & MOs

Info

ID:	39327
PubChem CID:	8140276
Reduced:	OSF2N4H10C17 (1)
Stoich.:	ABC2D4E10F17 (1)
Weight, g/mol:	362.120132
ΔH_f, kcal/mol:	1.09
Dipole, Da:	6.42
IP(EA), eV:	-9.17(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-propylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations