Geometry & MOs

Info

ID:	292679
PubChem CID:	117356927
Reduced:	F2N2O3H8C10 (1)
Stoich.:	A2B2C3D8E10 (1)
Weight, g/mol:	242.050298
ΔH_f, kcal/mol:	-118.27
Dipole, Da:	3.27
IP(EA), eV:	-9.31(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(3-amino-2H-1,2-oxazol-5-ylidene)-4,5-difluoro-2-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C2=CC(=NO2)N)F)O)F

DOS

IR

Vibrations