Geometry & MOs

Info

ID:	150800
PubChem CID:	53790496
Reduced:	ON2S2C15H26 (1)
Stoich.:	AB2C2D15E26 (1)
Weight, g/mol:	142.045236
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	3.61
IP(EA), eV:	-8.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxohept-6-enethial

Drug info:

PubChemData

Smile

CCCCCSC(=C(C#N)NC(=O)C)SCCCCC

DOS

IR

Vibrations