Geometry & MOs

Info

ID:	263219
PubChem CID:	103346784
Reduced:	S2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	342.026348
ΔH_f, kcal/mol:	41.76
Dipole, Da:	1.79
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-chloro-4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C2=NC=CC(=N2)CNC3CC3)C

DOS

IR

Vibrations