Geometry & MOs

Info

ID:	29420
PubChem CID:	833689
Reduced:	ClN2F3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	322.957455
ΔH_f, kcal/mol:	-109.8
Dipole, Da:	0.97
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-(3,4-dichlorophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)N)Cl

DOS

IR

Vibrations