Geometry & MOs

Info

ID:	179829
PubChem CID:	76538537
Reduced:	SO5N6C23H34 (1)
Stoich.:	AB5C6D23E34 (1)
Weight, g/mol:	518.267525
ΔH_f, kcal/mol:	-164.79
Dipole, Da:	6.58
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)CS(=O)(=O)CCO)C3=CC=C(C=C3)NC(=O)NCCN(C)C

DOS

IR

Vibrations