Geometry & MOs

Info

ID:	213874
PubChem CID:	81065505
Reduced:	FN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	-170.89
Dipole, Da:	6.73
IP(EA), eV:	-10.26(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-phenylsulfanylbutanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations