Geometry & MOs

Info

ID:	226271
PubChem CID:	87350294
Reduced:	IO2C16H33 (1)
Stoich.:	AB2C16D33 (1)
Weight, g/mol:	266.090272
ΔH_f, kcal/mol:	-161.57
Dipole, Da:	4.76
IP(EA), eV:	-10.23(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-(2-aminobenzoyl)oxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O.I

DOS

IR

Vibrations