Geometry & MOs

Info

ID:	136989
PubChem CID:	52134964
Reduced:	OSN6C15H20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	62.72
Dipole, Da:	7.32
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-[[4-ethyl-5-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC=C(O2)C)CCC3=CN(N=C3)C

DOS

IR

Vibrations