Geometry & MOs

Info

ID:	267058
PubChem CID:	103580598
Reduced:	BrClFSO2N3H6C10 (1)
Stoich.:	ABCDE2F3G6H10 (1)
Weight, g/mol:	326.965145
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	3.63
IP(EA), eV:	-9.46(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyrazin-2-yl)-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NC2=CN=C(C=N2)Cl)F)Br

DOS

IR

Vibrations