Geometry & MOs

Info

ID:	179828
PubChem CID:	76538366
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	506.231139
ΔH_f, kcal/mol:	-32.0
Dipole, Da:	4.4
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-3-[4-[4-(2-hydroxyethylsulfonylmethyl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CCN(CC)C(=CC(=O)OC)N1C2=CC=CC=C2C(=C1[O-])[N+]#N

DOS

IR

Vibrations