Geometry & MOs

Info

ID:	158988
PubChem CID:	57244369
Reduced:	N2F3O7C42H45 (1)
Stoich.:	A2B3C7D42E45 (1)
Weight, g/mol:	369.04129
ΔH_f, kcal/mol:	-392.52
Dipole, Da:	3.81
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethoxypyrimidin-2-yl)-3-(ethylsulfonylsulfamoyl)urea

Drug info:

PubChemData

Smile

CC(C)CN(C1CC[C@]2([C@H]3CC4=C5[C@]2(C1OC5=C(C=C4)OC(=O)C)CCN3CCC6=CC=CC=C6)OC(=O)C)C(=O)C=CC7=CC(=CC=C7)OC(F)(F)F

DOS

IR

Vibrations