Geometry & MOs

Info

ID:	29451
PubChem CID:	833882
Reduced:	ClOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	313.050571
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	5.18
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2CCCC2)Cl

DOS

IR

Vibrations