Geometry & MOs

Info

ID:	142513
PubChem CID:	53048027
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	457.133924
ΔH_f, kcal/mol:	14.79
Dipole, Da:	2.98
IP(EA), eV:	-8.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)N4CCCC4

DOS

IR

Vibrations