Geometry & MOs

Info

ID:	65588
PubChem CID:	46386652
Reduced:	ClOSN4C16H17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	36.76
Dipole, Da:	5.32
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=C(OC(=N2)C3=CC(=CC=C3)Cl)C)C

DOS

IR

Vibrations