Geometry & MOs

Info

ID:	231027
PubChem CID:	87572480
Reduced:	OCl3F3N5C30H33 (1)
Stoich.:	AB3C3D5E30F33 (1)
Weight, g/mol:	403.293388
ΔH_f, kcal/mol:	-190.39
Dipole, Da:	4.47
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-[3-hydroxy-2-(hydroxyamino)propoxy]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

CC(C)NCC(C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=C4C=CNC4=NC=C3C5=CC(=CC=C5)C(F)(F)F.Cl.Cl

DOS

IR

Vibrations