Geometry & MOs

Info

ID:	193040
PubChem CID:	78337576
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-161.64
Dipole, Da:	5.25
IP(EA), eV:	-9.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3C(C2)C(=O)NC(N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations