Geometry & MOs

Info

ID:	155199
PubChem CID:	56322629
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	482.21001
ΔH_f, kcal/mol:	45.1
Dipole, Da:	4.35
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

DOS

IR

Vibrations