Geometry & MOs

Info

ID:	122339
PubChem CID:	50803325
Reduced:	FSO3N6H23C24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	504.19436
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	6.28
IP(EA), eV:	-8.96(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-4-[[2-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations