Geometry & MOs

Info

ID:	66052
PubChem CID:	46488328
Reduced:	ClFN2O2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	499.236559
ΔH_f, kcal/mol:	-53.1
Dipole, Da:	2.78
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)F)Cl

DOS

IR

Vibrations