Geometry & MOs

Info

ID:	178711
PubChem CID:	76372019
Reduced:	SN2O4C27H40 (1)
Stoich.:	AB2C4D27E40 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-167.78
Dipole, Da:	8.69
IP(EA), eV:	-8.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octa-2,4,6-trienyl octa-2,4,6-trienoate

Drug info:

PubChemData

Smile

CCC(C(=O)N(CC)CC)N(C1=C(SC(=C1)C#CC(C)(C)C)C(=O)O)C(=O)C2CCC(CC2)C

DOS

IR

Vibrations