Geometry & MOs

Info

ID:	442689
PubChem CID:	135255774
Reduced:	BrFO3N5H13C17 (1)
Stoich.:	ABC3D5E13F17 (1)
Weight, g/mol:	415.04038
ΔH_f, kcal/mol:	16.19
Dipole, Da:	3.84
IP(EA), eV:	-8.75(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4E)-4-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-1,2,5-oxadiazol-3-yl]-2-(3-hydroxypropyl)guanidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC\2=CON/C2=C(\NC3=CC(=C(C=C3)F)Br)/N=O

DOS

IR

Vibrations