Geometry & MOs

Info

ID:	226738
PubChem CID:	87557977
Reduced:	SN6O7C26H26 (1)
Stoich.:	AB6C7D26E26 (1)
Weight, g/mol:	412.35526
ΔH_f, kcal/mol:	-145.71
Dipole, Da:	2.37
IP(EA), eV:	-8.64(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-24,25-dihydroxypentacos-13-enoic acid

Drug info:

PubChemData

Smile

CC(C=O)N(C(=O)O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations