Geometry & MOs

Info

ID:	234326
PubChem CID:	92298185
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	388.97213
ΔH_f, kcal/mol:	-39.95
Dipole, Da:	2.46
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(4-bromothiophen-2-yl)methylidene]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@@H]2C3=CC=CN3CCN2C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations