Geometry & MOs

Info

ID:	179640
PubChem CID:	76514638
Reduced:	F3N4O6H23C26 (1)
Stoich.:	A3B4C6D23E26 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-231.97
Dipole, Da:	3.91
IP(EA), eV:	-9.49(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-5-oxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)NC1COC2=C(C1O)C=CC(=C2)C3=NOC(=N3)C4=C(C(=NO4)C5=CC=CC=C5)C(F)(F)F

DOS

IR

Vibrations