Geometry & MOs

Info

ID:	146443
PubChem CID:	53690347
Reduced:	S2N5O10C13H15 (1)
Stoich.:	A2B5C10D13E15 (1)
Weight, g/mol:	410.048793
ΔH_f, kcal/mol:	-311.95
Dipole, Da:	8.45
IP(EA), eV:	-9.77(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2,6-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxyoxan-2-one

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOCC(=O)O)C2=CSC(=N2)N

DOS

IR

Vibrations