Geometry & MOs

Info

ID:	307688
PubChem CID:	125308103
Reduced:	SO2N5C16H27 (1)
Stoich.:	AB2C5D16E27 (1)
Weight, g/mol:	251.046154
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	6.84
IP(EA), eV:	-8.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-chloroanilino)methyl]-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C(=C([C@H](N1)C)C2=NN=C(C2)C(=O)N[C@H](CCSC)CO)C

DOS

IR

Vibrations