Geometry & MOs

Info

ID:	405920
PubChem CID:	135075973
Reduced:	N2O4C11H19 (1)
Stoich.:	A2B4C11D19 (1)
Weight, g/mol:	228.027872
ΔH_f, kcal/mol:	-138.55
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773146
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methylthiophen-2-yl)sulfanylpentane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(/CCC1OCCO1)\[N+]#N)/O

DOS

IR

Vibrations