Geometry & MOs

Info

ID:	167566
PubChem CID:	74845629
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	403.136591
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	3.87
IP(EA), eV:	-9.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2C(C1)C(=O)NC(N2)C3=CC=CC(=C3)C

DOS

IR

Vibrations