Geometry & MOs

Info

ID:	121692
PubChem CID:	50777654
Reduced:	FS2N3O3C21H26 (1)
Stoich.:	AB2C3D3E21F26 (1)
Weight, g/mol:	410.060425
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	8.25
IP(EA), eV:	-8.65(-1.2)
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]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations