Geometry & MOs

Info

ID:	193037
PubChem CID:	78337573
Reduced:	FSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	425.214841
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	3.02
IP(EA), eV:	-9.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C(C2)C(=O)NC(N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations