Geometry & MOs

Info

ID:	38966
PubChem CID:	8138261
Reduced:	FSN3O3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	261.091355
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	1.29
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(O1)C2=CC=C(C=C2)F)OC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations