Geometry & MOs

Info

ID:	65586
PubChem CID:	46386649
Reduced:	OSN4H22C23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	94.7
Dipole, Da:	5.82
IP(EA), eV:	-8.88(-0.55)
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-(4-methylphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

DOS

IR

Vibrations