Geometry & MOs

Info

ID:	9625
PubChem CID:	91707
Reduced:	ClNO5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	361.0717
ΔH_f, kcal/mol:	-129.54
Dipole, Da:	3.05
IP(EA), eV:	-9.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl

DOS

IR

Vibrations