Geometry & MOs

Info

ID:	83145
PubChem CID:	49857204
Reduced:	F2S3N4O4C16H18 (1)
Stoich.:	A2B3C4D4E16F18 (1)
Weight, g/mol:	355.110296
ΔH_f, kcal/mol:	-195.99
Dipole, Da:	5.21
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-piperidin-3-yl]-2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)[C@@H]2C[C@H](CN2C(=O)CNS(=O)(=O)C)F)C(=O)NC3=NC=C(S3)F

DOS

IR

Vibrations