Geometry & MOs

Info

ID:	294757
PubChem CID:	117488780
Reduced:	ClNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	302.96548
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	4.42
IP(EA), eV:	-9.69(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]-5-bromo-4-fluoro-2-hydroxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(CCN)C1=CC(=C(C=C1)S(=O)(=O)C2COC2)Cl

DOS

IR

Vibrations