Geometry & MOs

Info

ID:	159573
PubChem CID:	57288473
Reduced:	ClF2N2S2O6H23C28 (1)
Stoich.:	AB2C2D2E6F23G28 (1)
Weight, g/mol:	266.117904
ΔH_f, kcal/mol:	-149.74
Dipole, Da:	5.48
IP(EA), eV:	-8.66(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-fluoro-4-hydrazinylphenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl)OCCCS(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations