Geometry & MOs

Info

ID:	328819
PubChem CID:	126728240
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	275.061614
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	3.06
IP(EA), eV:	-9.17(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(Z,4E)-4-(2-methyl-1H-pyridin-4-ylidene)-1-methylsulfanylbut-2-enylidene]oxetane-2,3-dione

Drug info:

PubChemData

Smile

CC1N=C(NC(=N1)OC(C(C)C)C(C)C)C

DOS

IR

Vibrations