Geometry & MOs

Info

ID:	243292
PubChem CID:	99218211
Reduced:	NOC11H16 (2)
Stoich.:	ABC11D16 (2)
Weight, g/mol:	486.137319
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	4.47
IP(EA), eV:	-8.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]phenyl]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC2=CC=CC=C2O1)C(=O)C3CCN(CC3)CC(C)C

DOS

IR

Vibrations