Geometry & MOs

Info

ID:	122359
PubChem CID:	50803678
Reduced:	ClSO2N4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	440.107375
ΔH_f, kcal/mol:	-20.63
Dipole, Da:	5.47
IP(EA), eV:	-9.33(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(4-chlorophenyl)methyl-(2-methoxyethyl)amino]methyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

COCCN(CC1=CC=C(C=C1)Cl)CC2=CC(=O)N3C(=N2)SC(=N3)C4CCCCC4

DOS

IR

Vibrations