Geometry & MOs

Info

ID:	170718
PubChem CID:	75271127
Reduced:	SO2N4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	433.097051
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	6.93
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4aH-thieno[3,2-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CSC3C2NC(NC3=O)N4CCCC(C4)C(=O)NC5CCCCCC5

DOS

IR

Vibrations