Geometry & MOs

Info

ID:	440128
PubChem CID:	135230028
Reduced:	O2S2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-64.02
Dipole, Da:	5.59
IP(EA), eV:	-9.43(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-5-[(Z)-2-methylhex-4-en-2-yl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC/C=C\C=C/C(C)CC(=S)SC(C)C(=O)O

DOS

IR

Vibrations