Geometry & MOs

Info

ID:	346673
PubChem CID:	127271177
Reduced:	FON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	52.76
Dipole, Da:	5.73
IP(EA), eV:	-9.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(oxolan-2-yl)propan-2-ylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C3CCCC3=N2)C#N)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations