Geometry & MOs

Info

ID:	343124
PubChem CID:	127266297
Reduced:	ClSN3O3C12H14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	7.73
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-2-oxopyridin-4-yl)-3-[(6-propoxypyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)NC2=CC=CC(=C2Cl)CO

DOS

IR

Vibrations