Geometry & MOs

Info

ID:	172709
PubChem CID:	75542552
Reduced:	SF2O2N3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	437.077632
ΔH_f, kcal/mol:	-128.6
Dipole, Da:	5.17
IP(EA), eV:	-9.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfanyl]-5-(2,4-difluorophenyl)-1,2,3,4a,5,6,8,8a-octahydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

C1C(C2C(NC(NC2=O)SCC3=CC=CC=C3)NC1=O)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations