Geometry & MOs

Info

ID:	312491
PubChem CID:	126605852
Reduced:	FSO2N6H17C18 (1)
Stoich.:	ABC2D6E17F18 (1)
Weight, g/mol:	473.0837
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	2.86
IP(EA), eV:	-8.64(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-chloro-2-(methylamino)benzenecarboximidoyl]-7-[1-(1,3-oxazol-2-yl)ethylcarbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CNC2=NC=C(N=C12)C3=C4C=CC(=CN4C(=N3)S(=O)C)F

DOS

IR

Vibrations