Geometry & MOs

Info

ID:	122349
PubChem CID:	50803562
Reduced:	OSN4C23H32 (1)
Stoich.:	ABC4D23E32 (1)
Weight, g/mol:	508.144823
ΔH_f, kcal/mol:	1.04
Dipole, Da:	4.67
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-chlorophenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NN2C(=O)C=C(N=C2S1)CN(CC3=CC=C(C=C3)C(C)C)CC(C)C

DOS

IR

Vibrations