Geometry & MOs

Info

ID:	146165
PubChem CID:	53646364
Reduced:	S3N5O7H37C38 (1)
Stoich.:	A3B5C7D37E38 (1)
Weight, g/mol:	252.03017
ΔH_f, kcal/mol:	-113.86
Dipole, Da:	8.8
IP(EA), eV:	-8.79(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC7=C6C=CN=C7

DOS

IR

Vibrations