Geometry & MOs

Info

ID:	143369
PubChem CID:	53197935
Reduced:	BrO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	437.134403
ΔH_f, kcal/mol:	6.95
Dipole, Da:	7.79
IP(EA), eV:	-9.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)NC(=O)COCC2=CC=CC=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations