Geometry & MOs

Info

ID:	59571
PubChem CID:	24875320
Reduced:	O2F3N4H17C21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	300.266445
ΔH_f, kcal/mol:	-166.62
Dipole, Da:	3.7
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13S)-13-hydroxyoctadecanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CC(=C3)C(=O)N

DOS

IR

Vibrations