Geometry & MOs

Info

ID:	313811
PubChem CID:	126617936
Reduced:	FO3N5H28C33 (1)
Stoich.:	AB3C5D28E33 (1)
Weight, g/mol:	444.345089
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	10.08
IP(EA), eV:	-8.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(2,3-dihydroxypropoxycarbonyl)henicosanoic acid

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)C2=C1C=CC(=C2)C)C(=O)NC3=CC(=C(C=C3)OC4=NC=NC5=C4C(=CN5)C6=CC=CC=C6)F)C

DOS

IR

Vibrations