Geometry & MOs

Info

ID:	79618
PubChem CID:	49829735
Reduced:	NSF2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	-255.46
Dipole, Da:	7.56
IP(EA), eV:	-9.73(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxyphenyl)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

DOS

IR

Vibrations