Geometry & MOs

Info

ID:	193038
PubChem CID:	78337574
Reduced:	FSN3O3C21H32 (1)
Stoich.:	ABC3D3E21F32 (1)
Weight, g/mol:	431.167891
ΔH_f, kcal/mol:	-185.96
Dipole, Da:	5.46
IP(EA), eV:	-9.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-6-(2,4,6-trimethylphenyl)sulfonyl-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)(=O)N1CCC2C(C1)C(=O)NC(N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations