Geometry & MOs

Info

ID:	329286
PubChem CID:	126734020
Reduced:	SN2F3O4C18H21 (1)
Stoich.:	AB2C3D4E18F21 (1)
Weight, g/mol:	413.169919
ΔH_f, kcal/mol:	-274.97
Dipole, Da:	3.32
IP(EA), eV:	-10.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-formyl-2-(4-methoxyphenyl)-N-[1-(3-oxomorpholin-4-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@](C1=CC=CC=C1F)(C(/C=C(\C#N)/S(=O)(=O)C)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations