Geometry & MOs

Info

ID:	216067
PubChem CID:	85085663
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-146.65
Dipole, Da:	3.56
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 2-(furan-2-carbonyl)penta-2,4-dienethioate

Drug info:

PubChemData

Smile

CC(C)C1C(OC2=CC=CC=C2O1)C(=O)O

DOS

IR

Vibrations