Geometry & MOs

Info

ID:	122338
PubChem CID:	50803224
Reduced:	ClSO4N5H24C25 (1)
Stoich.:	ABC4D5E24F25 (1)
Weight, g/mol:	494.153638
ΔH_f, kcal/mol:	-39.98
Dipole, Da:	7.39
IP(EA), eV:	-8.6(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations