Geometry & MOs

Info

ID:	55636
PubChem CID:	17395704
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	4.96
IP(EA), eV:	-8.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C(C)C)C

DOS

IR

Vibrations