Geometry & MOs

Info

ID:	230070
PubChem CID:	87570014
Reduced:	O2F6N8H18C25 (1)
Stoich.:	A2B6C8D18E25 (1)
Weight, g/mol:	451.112126
ΔH_f, kcal/mol:	-180.27
Dipole, Da:	7.99
IP(EA), eV:	-8.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(2-chloro-5-quinolin-6-ylpyridin-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1[C@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)C5=C(C(=C(C=C5F)F)F)C#N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations