Geometry & MOs

Info

ID:	444676
PubChem CID:	135263243
Reduced:	FO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	3.7
IP(EA), eV:	-9.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(hydroxymethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CCCCCCC(=CC1=CC=C(C=C1)F)/C=C/C(=O)O

DOS

IR

Vibrations