Geometry & MOs

Info

ID:	69169
PubChem CID:	46525734
Reduced:	SO3N6H22C23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	480.092597
ΔH_f, kcal/mol:	5.88
Dipole, Da:	3.68
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations