Geometry & MOs

Info

ID:	422006
PubChem CID:	135116999
Reduced:	ClO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	325.103103
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	2.47
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2C3=NC=C(C=C3)Cl)(CC4=CC=CC=C4)C(=O)N5CCC(CC5)O

DOS

IR

Vibrations