Geometry & MOs

Info

ID:	71044
PubChem CID:	48414215
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	330.149204
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	4.43
IP(EA), eV:	-8.99(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC(=CS2)CC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations