Geometry & MOs

Info

ID:	173504
PubChem CID:	75646008
Reduced:	BrN3O5H7C14 (1)
Stoich.:	AB3C5D7E14 (1)
Weight, g/mol:	432.068788
ΔH_f, kcal/mol:	3.05
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.207141
Charge, e:	-1

Chem-info

IUPAC name:

[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])Br)C2=CC=C(O2)C=C3C(=NC(=O)N3)[O-]

DOS

IR

Vibrations