Geometry & MOs

Info

ID:	62234
PubChem CID:	26718487
Reduced:	ClN4O5H15C18 (1)
Stoich.:	AB4C5D15E18 (1)
Weight, g/mol:	436.085284
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	1.48
IP(EA), eV:	-9.04(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](CN(C1=O)C2=CC=CC=C2Cl)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations