Geometry & MOs

Info

ID:	312495
PubChem CID:	126605892
Reduced:	SN2C6H8 (1)
Stoich.:	AB2C6D8 (1)
Weight, g/mol:	384.96444
ΔH_f, kcal/mol:	42.0
Dipole, Da:	4.53
IP(EA), eV:	-8.08(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-7-[1-(1,3-oxazol-2-yl)ethylcarbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

C/C(=C\1/C(=N)C=CS1)/N

DOS

IR

Vibrations