Geometry & MOs

Info

ID:	148002
PubChem CID:	53787664
Reduced:	NSO6C22H31 (1)
Stoich.:	ABC6D22E31 (1)
Weight, g/mol:	498.516452
ΔH_f, kcal/mol:	-253.25
Dipole, Da:	6.17
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-hex-5-enyl-13-prop-1-enylheptacosa-1,26-diene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(C1C2CCCCC2)C(=O)OC)C)CSC(=C)C(=O)OC

DOS

IR

Vibrations