Geometry & MOs

Info

ID:	188962
PubChem CID:	77794640
Reduced:	BrClN5O5C21H21 (1)
Stoich.:	ABC5D5E21F21 (1)
Weight, g/mol:	462.263091
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	3.46
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,5-diaminopentanoyl(3-phenylpropyl)amino]-3-(naphthalen-2-ylamino)propanoic acid

Drug info:

PubChemData

Smile

C1CN=C(N1)NC2=CC=CC(=C2)C(=O)N(C(CC(=O)O)C3=C(C(=CC(=C3)Cl)Br)O)C(=O)CN

DOS

IR

Vibrations