Geometry & MOs

Info

ID:	38952
PubChem CID:	8138226
Reduced:	FSN2O6C17H21 (1)
Stoich.:	ABC2D6E17F21 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-204.21
Dipole, Da:	4.5
IP(EA), eV:	-10.01(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-methylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations