Geometry & MOs

Info

ID:	176817
PubChem CID:	76102761
Reduced:	NO2F3C5H8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	599.494731
ΔH_f, kcal/mol:	-153.37
Dipole, Da:	3.73
IP(EA), eV:	-11.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-hydroxy-2-tetradecyloctadecanoyl)amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)O)(N(F)F)F

DOS

IR

Vibrations