Geometry & MOs

Info

ID:	143370
PubChem CID:	53198129
Reduced:	OS2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	445.193632
ΔH_f, kcal/mol:	70.49
Dipole, Da:	2.88
IP(EA), eV:	-8.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)SC(=N3)N4CCC(CC4)NC(=O)C5=CC=CS5

DOS

IR

Vibrations