Geometry & MOs

Info

ID:	188483
PubChem CID:	77723564
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	544.26857
ΔH_f, kcal/mol:	7.8
Dipole, Da:	3.91
IP(EA), eV:	-8.53(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[5-(1-phenylethylcarbamoylamino)pentanoylamino]acetyl]amino]-2-(4-phenylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1C3(CCNCC3)C(=O)N)C(NN2)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations