Geometry & MOs

Info

ID:	122347
PubChem CID:	50803504
Reduced:	SF2O2N6H20C23 (1)
Stoich.:	AB2C2D6E20F23 (1)
Weight, g/mol:	412.229683
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	3.81
IP(EA), eV:	-8.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=O)N3C(=N2)SC(=N3)C4=CC=CC=C4F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations