Geometry & MOs

Info

ID:	122346
PubChem CID:	50803448
Reduced:	O2S3N6C22H22 (1)
Stoich.:	A2B3C6D22E22 (1)
Weight, g/mol:	482.133651
ΔH_f, kcal/mol:	47.51
Dipole, Da:	4.2
IP(EA), eV:	-8.44(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CS5

DOS

IR

Vibrations