Geometry & MOs

Info

ID:	289721
PubChem CID:	104369818
Reduced:	ClSN2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	319.993089
ΔH_f, kcal/mol:	-80.9
Dipole, Da:	1.5
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-(4-chlorophenyl)-3-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CN2C(=O)C(=C(NC2=O)Cl)C(C)C

DOS

IR

Vibrations