Geometry & MOs

Info

ID:	243035
PubChem CID:	99215228
Reduced:	FSN3O4C24H30 (1)
Stoich.:	ABC3D4E24F30 (1)
Weight, g/mol:	398.130967
ΔH_f, kcal/mol:	-171.05
Dipole, Da:	4.16
IP(EA), eV:	-8.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC[C@@H]2CCN(C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations