Geometry & MOs

Info

ID:	68065
PubChem CID:	46507693
Reduced:	SO3N4H26C29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	254.93535
ΔH_f, kcal/mol:	-12.68
Dipole, Da:	3.91
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-3H-1,3-oxazole-2-thione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(NC=C3C4=CC=CC=C4)N=C2SCC(=O)NC5=CC=CC=C5OC

DOS

IR

Vibrations