Geometry & MOs

Info

ID:	121696
PubChem CID:	50777966
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	436.120526
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	4.46
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[[2-(4-methylphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C5=NOC(=N5)C

DOS

IR

Vibrations