Geometry & MOs

Info

ID:	39326
PubChem CID:	8140275
Reduced:	SF2O2N4H14C19 (1)
Stoich.:	AB2C2D4E14F19 (1)
Weight, g/mol:	356.054338
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	5.27
IP(EA), eV:	-9.22(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)OC(F)F)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

DOS

IR

Vibrations