Geometry & MOs

Info

ID:	188504
PubChem CID:	77724867
Reduced:	N4O6C27H40 (1)
Stoich.:	A4B6C27D40 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-279.54
Dipole, Da:	2.64
IP(EA), eV:	-9.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl-[2-[methyl-(3-phenylpropanoylamino)amino]ethyl]amino]-2-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C)C(=O)N1CC(C(=O)C1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations