Geometry & MOs

Info

ID:	159152
PubChem CID:	57261353
Reduced:	Br2O2S3H12C16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	36.72
Dipole, Da:	5.77
IP(EA), eV:	-9.07(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-phenyl-5-pyridin-3-yl-1,2-oxazol-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCCS(=O)(=O)C#CSC2=CC=C(C=C2)Br)Br

DOS

IR

Vibrations