Geometry & MOs

Info

ID:	218224
PubChem CID:	85089052
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	440.242356
ΔH_f, kcal/mol:	-186.4
Dipole, Da:	3.87
IP(EA), eV:	-9.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(5-amino-1-anilino-1-oxopentan-2-yl)amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations