Geometry & MOs

Info

ID:	230901
PubChem CID:	87572224
Reduced:	ClSN3O3C16H16 (1)
Stoich.:	ABC3D3E16F16 (1)
Weight, g/mol:	472.123898
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	11.63
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-2-piperidin-4-yloxy-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](CCC(=O)O)C(=O)NC1=CC(=S(N1)C2=CC(=CC=C2)Cl)C#N

DOS

IR

Vibrations