Geometry & MOs

Info

ID:	125950
PubChem CID:	50945200
Reduced:	N2O6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	402.183795
ΔH_f, kcal/mol:	-205.75
Dipole, Da:	8.03
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-3-(3-methylsulfanylphenyl)urea

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C1=CC2=CC(=C(C(=C2N1)OC)OC)OC

DOS

IR

Vibrations