Geometry & MOs

Info

ID:	205031
PubChem CID:	80047571
Reduced:	FNSO2H10C16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	4.39
IP(EA), eV:	-9.17(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypent-1-en-3-yl)hexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)SC3=CC=CC(=C3)F)C(=O)O

DOS

IR

Vibrations