Geometry & MOs

Info

ID:	138261
PubChem CID:	52336191
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	384.02556
ΔH_f, kcal/mol:	8.06
Dipole, Da:	7.84
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3C#N

DOS

IR

Vibrations