Geometry & MOs

Info

ID:	246915
PubChem CID:	103065569
Reduced:	ClSN2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	341.999654
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	4.16
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N(C1=O)C2CCSC2)Cl

DOS

IR

Vibrations