Geometry & MOs

Info

ID:	62210
PubChem CID:	26718236
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	456.126755
ΔH_f, kcal/mol:	-27.88
Dipole, Da:	3.34
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-fluorophenyl)sulfonyl-N'-(2-pyrrol-1-ylbenzoyl)pyrrolidine-2-carbohydrazide

Drug info:

PubChemData

Smile

C1[C@@H](CN(C1=O)C2=CC=CC=C2Cl)C(=O)NNC(=O)C3=CC=CC=C3N4C=CC=C4

DOS

IR

Vibrations