Geometry & MOs

Info

ID:	121700
PubChem CID:	50778129
Reduced:	SO3N4H22C27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	452.107375
ΔH_f, kcal/mol:	21.54
Dipole, Da:	7.48
IP(EA), eV:	-9.19(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)CNC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations