Geometry & MOs

Info

ID:	175298
PubChem CID:	75880606
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	4.29
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4)C

DOS

IR

Vibrations