Geometry & MOs

Info

ID:	227535
PubChem CID:	87561946
Reduced:	FNPSCl2O4H17C21 (1)
Stoich.:	ABCDE2F4G17H21 (1)
Weight, g/mol:	384.287574
ΔH_f, kcal/mol:	-202.83
Dipole, Da:	5.73
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxybutanoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid

Drug info:

PubChemData

Smile

C=CN(C1=C(C(=CC=C1)Cl)F)C(=O)C(C2=CSC3=C2C=C(C=C3)Cl)P4(=O)OCCCO4

DOS

IR

Vibrations