Geometry & MOs

Info

ID:	227049
PubChem CID:	87559891
Reduced:	ClN4O4C34H69 (1)
Stoich.:	AB4C4D34E69 (1)
Weight, g/mol:	386.264337
ΔH_f, kcal/mol:	-290.79
Dipole, Da:	3.93
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E,10Z,13Z,16Z,19Z,22Z)-4-hydroxypentacosa-7,10,13,16,19,22-hexaene-2-thione

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1NCCN1CCO.CCCCCCCCCCCC1NCC(N1CCO)C(C(=O)O)Cl

DOS

IR

Vibrations