Geometry & MOs

Info

ID:	379022
PubChem CID:	134228914
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	34.94
Dipole, Da:	6.58
IP(EA), eV:	-8.79(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E,7E)-7-ethylidene-3,6,9-trimethyldeca-3,5,8-trien-2-one

Drug info:

PubChemData

Smile

C/C(=C\N=C(C)C1=CN=CC=C1)/SC(C)(C)C(=O)N=O

DOS

IR

Vibrations