Geometry & MOs

Info

ID:	55948
PubChem CID:	17397702
Reduced:	N2S2O4H14C17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	271.077933
ΔH_f, kcal/mol:	-111.51
Dipole, Da:	4.9
IP(EA), eV:	-8.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations