Geometry & MOs

Info

ID:	121010
PubChem CID:	50753239
Reduced:	SO2N5C26H33 (1)
Stoich.:	AB2C5D26E33 (1)
Weight, g/mol:	465.219846
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	6.62
IP(EA), eV:	-8.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-ethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC(=NC(=N3)C)NC4CCCCC4)C

DOS

IR

Vibrations