Geometry & MOs

Info

ID:	62235
PubChem CID:	26718490
Reduced:	FSN4O6H17C18 (1)
Stoich.:	ABC4D6E17F18 (1)
Weight, g/mol:	436.085284
ΔH_f, kcal/mol:	-142.74
Dipole, Da:	4.95
IP(EA), eV:	-10.04(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenyl)sulfonyl-N'-(3-nitrobenzoyl)pyrrolidine-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations