Geometry & MOs

Info

ID:	49974
PubChem CID:	11538565
Reduced:	NF3O3H16C22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-192.53
Dipole, Da:	6.68
IP(EA), eV:	-9.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)C3=CC(=CC=C3)F)F

DOS

IR

Vibrations