Geometry & MOs

Info

ID:	136764
PubChem CID:	52096463
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	492.174373
ΔH_f, kcal/mol:	-49.18
Dipole, Da:	8.25
IP(EA), eV:	-8.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=NC(=CC(=O)N21)COC3=CC=CC=C3NC(=O)C4CCCCC4

DOS

IR

Vibrations