Geometry & MOs

Info

ID:	196753
PubChem CID:	78874447
Reduced:	ClS2N5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	318.060903
ΔH_f, kcal/mol:	124.68
Dipole, Da:	3.76
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

DOS

IR

Vibrations