Geometry & MOs

Info

ID:	167548
PubChem CID:	74845151
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	431.164068
ΔH_f, kcal/mol:	-82.16
Dipole, Da:	2.56
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-ium-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations