Geometry & MOs

Info

ID:	411813
PubChem CID:	135084658
Reduced:	ON3H7C12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	214.012222
ΔH_f, kcal/mol:	116.06
Dipole, Da:	1.55
IP(EA), eV:	-8.65(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-3,3-bis(methylsulfanyl)prop-2-enal

Drug info:

PubChemData

Smile

C1=CC2=C3C=C(N(C=C3N=C2C=C1)O)C#N

DOS

IR

Vibrations