Geometry & MOs

Info

ID:	167567
PubChem CID:	74845747
Reduced:	FSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	421.239913
ΔH_f, kcal/mol:	-124.4
Dipole, Da:	9.04
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2NC3CCN(CC3C(=O)N2)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations