Geometry & MOs

Info

ID:	157347
PubChem CID:	56423105
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	434.17879
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	8.05
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)F)N3CCCCC3)OC

DOS

IR

Vibrations