Geometry & MOs

Info

ID:	305810
PubChem CID:	124970134
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	474.183795
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	5.78
IP(EA), eV:	-9.69(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-methyl-6-[(2S)-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@H]2CCCCN2S(=O)(=O)C)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations