Geometry & MOs

Info

ID:	201164
PubChem CID:	79499552
Reduced:	FON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	274.08481
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	3.06
IP(EA), eV:	-8.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4E)-4-[amino-(hydroxyamino)methylidene]pyrazol-3-yl]pyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

CC1(CN=C(N1C2=CC=C(C=C2)F)N)C3=CC=C(C=C3)O

DOS

IR

Vibrations