Geometry & MOs

Info

ID:	232082
PubChem CID:	87575405
Reduced:	PSC3O3H9 (1)
Stoich.:	ABC3D3E9 (1)
Weight, g/mol:	419.07054
ΔH_f, kcal/mol:	-139.6
Dipole, Da:	4.81
IP(EA), eV:	-9.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-1-morpholin-4-ylcyclohexa-2,4-diene-1-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)OP

DOS

IR

Vibrations