Geometry & MOs

Info

ID:	121007
PubChem CID:	50753081
Reduced:	BrN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	489.123753
ΔH_f, kcal/mol:	0.65
Dipole, Da:	3.42
IP(EA), eV:	-9.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2ON1)C4=CC(=CC=C4)Br

DOS

IR

Vibrations