Geometry & MOs

Info

ID:	122355
PubChem CID:	50803576
Reduced:	ClSO3N6H23C24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	420.142011
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	2.48
IP(EA), eV:	-8.93(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-2-cyclopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations