Geometry & MOs

Info

ID:	137010
PubChem CID:	52137206
Reduced:	OSN3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	362.09681
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	4.22
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(N1C)SCC(=O)C(C)(C)C

DOS

IR

Vibrations