Geometry & MOs

Info

ID:	307458
PubChem CID:	125299985
Reduced:	ON3H19C24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	415.01024
ΔH_f, kcal/mol:	77.13
Dipole, Da:	2.95
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S)-2-bromo-2,3-dihydrothiophen-5-yl]-N-[(Z)-2H-indol-3-ylmethylideneamino]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C=NC2=C1C=CC(=C2)NC(=O)C3=CC4=C(C=C3)C=CN4CC5=CC=CC=C5

DOS

IR

Vibrations