Geometry & MOs

Info

ID:	121697
PubChem CID:	50777977
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	454.086639
ΔH_f, kcal/mol:	-46.53
Dipole, Da:	6.08
IP(EA), eV:	-8.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-chlorophenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]-2-(2,6-dimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)CNC(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations