Geometry & MOs

Info

ID:	122335
PubChem CID:	50803074
Reduced:	SO3N5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	475.167811
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	7.43
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-7-[[4-(2-phenoxyacetyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CC=C5C

DOS

IR

Vibrations