Geometry & MOs

Info

ID:	232937
PubChem CID:	87577746
Reduced:	O2S2N4C15H16 (1)
Stoich.:	A2B2C4D15E16 (1)
Weight, g/mol:	618.558711
ΔH_f, kcal/mol:	-0.57
Dipole, Da:	9.59
IP(EA), eV:	-8.87(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,11Z)-17-[(9Z,18E)-20-hydroxyicosa-9,18-dien-4-yl]peroxyicosa-2,11-dien-1-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=C1N(N)SCC2=CC3=C(C=C2)N=CN3)C(=O)O)C

DOS

IR

Vibrations