Geometry & MOs

Info

ID:	234017
PubChem CID:	92297544
Reduced:	NO6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	358.035649
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	2.95
IP(EA), eV:	-8.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(2-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC[C@H]2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CO4)OC)OC

DOS

IR

Vibrations