Geometry & MOs

Info

ID:	342439
PubChem CID:	127265594
Reduced:	SF2N2O4H18C22 (1)
Stoich.:	AB2C2D4E18F22 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	6.1
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)F)O

DOS

IR

Vibrations