Geometry & MOs

Info

ID:	122342
PubChem CID:	50803392
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	388.173311
ΔH_f, kcal/mol:	41.32
Dipole, Da:	2.87
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OC)CC2=CC(=O)N3C(=N2)SC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations