Geometry & MOs

Info

ID:	318103
PubChem CID:	126648957
Reduced:	O2S2N3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	468.381475
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	1.26
IP(EA), eV:	-7.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16E,22E)-7,9,13-trihydroxyoctacosa-16,22-dienoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC2(NC(=CS2)C3=C(N=CS3)C)C)OC)OC

DOS

IR

Vibrations