Geometry & MOs

Info

ID:	69409
PubChem CID:	47169947
Reduced:	N2S2O3C11H18 (1)
Stoich.:	A2B2C3D11E18 (1)
Weight, g/mol:	259.100857
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	7.05
IP(EA), eV:	-9.53(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[[(3-fluorophenyl)methylamino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)CNS(=O)(=O)C1=CC=CS1

DOS

IR

Vibrations