Geometry & MOs

Info

ID:	404575
PubChem CID:	135066858
Reduced:	ClNSO2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	279.089543
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	2.69
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-phenyl-1,2-oxazol-3-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(=O)C)C2=NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations