Geometry & MOs

Info

ID:	122324
PubChem CID:	50802767
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	495.113188
ΔH_f, kcal/mol:	17.74
Dipole, Da:	3.68
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations