Geometry & MOs

Info

ID:	289712
PubChem CID:	104369221
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	320.038627
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	5.26
IP(EA), eV:	-9.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzothiophen-5-yl)-6-chloro-5-propan-2-yl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C2C(=O)N=C(O2)N

DOS

IR

Vibrations