Geometry & MOs

Info

ID:	172708
PubChem CID:	75542551
Reduced:	SF2O2N3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	403.116604
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	5.04
IP(EA), eV:	-9.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCSC1NC2C(C(CC(=O)N2)C3=CC(=CC(=C3)F)F)C(=O)N1

DOS

IR

Vibrations