Geometry & MOs

Info

ID:	192216
PubChem CID:	78246706
Reduced:	SN3O4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	492.083251
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	5.11
IP(EA), eV:	-8.76(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluorophenyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-6,8a-dihydro-4aH-pyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5CCCCC5C3=O

DOS

IR

Vibrations