Geometry & MOs

Info

ID:	121698
PubChem CID:	50778003
Reduced:	ClSO3N4H19C22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	440.070989
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	5.93
IP(EA), eV:	-9.44(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-chlorophenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NCC2=CC(=O)N3C(=N2)SC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations