Geometry & MOs

Info

ID:	182518
PubChem CID:	76900037
Reduced:	ClFSN4O5C29H30 (1)
Stoich.:	ABCD4E5F29G30 (1)
Weight, g/mol:	540.9367
ΔH_f, kcal/mol:	-145.02
Dipole, Da:	5.81
IP(EA), eV:	-8.4(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetrasodium;5-[[[(1S)-1-(4-bromophenyl)ethyl]amino]-phosphonatomethyl]quinoxaline-2,3-diolate

Drug info:

PubChemData

Smile

CS(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.O.O

DOS

IR

Vibrations