Geometry & MOs

Info

ID:	142376
PubChem CID:	53024288
Reduced:	SF2N2O5H20C22 (1)
Stoich.:	AB2C2D5E20F22 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-251.58
Dipole, Da:	3.74
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CC(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations