Geometry & MOs

Info

ID:	122350
PubChem CID:	50803563
Reduced:	ClSO2N6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	508.144823
ΔH_f, kcal/mol:	17.19
Dipole, Da:	4.41
IP(EA), eV:	-8.6(-1.67)
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-(3,5-dimethylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations