Geometry & MOs

Info

ID:	121009
PubChem CID:	50753238
Reduced:	SO3N6C18H22 (1)
Stoich.:	AB3C6D18E22 (1)
Weight, g/mol:	479.235497
ΔH_f, kcal/mol:	-24.56
Dipole, Da:	2.86
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,4,5-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC(=NC(=N3)C)N(C)C

DOS

IR

Vibrations