Geometry & MOs

Info

ID:	122341
PubChem CID:	50803391
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	6.26
IP(EA), eV:	-8.62(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OC)CC2=CC(=O)N3C(=N2)SC(=N3)C4=CC=CC=C4OC

DOS

IR

Vibrations