Geometry & MOs

Info

ID:	122336
PubChem CID:	50803105
Reduced:	SO3N5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	513.103767
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	4.36
IP(EA), eV:	-9.12(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-7-[[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN3C(=O)C=C(N=C3S2)CN4CCN(CC4)C(=O)COC5=CC=CC=C5

DOS

IR

Vibrations