Geometry & MOs

Info

ID:	156131
PubChem CID:	56369239
Reduced:	BrFSO2N3H15C17 (1)
Stoich.:	ABCD2E3F15G17 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	2.5
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,6-dimethylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)OC)Br

DOS

IR

Vibrations