Geometry & MOs

Info

ID:	39004
PubChem CID:	8138329
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	394.111104
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	3.35
IP(EA), eV:	-9.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfonyl-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations