Geometry & MOs

Info

ID:	46583
PubChem CID:	10525367
Reduced:	PO7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-277.63
Dipole, Da:	2.02
IP(EA), eV:	-9.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C#C[C@H]([C@@H]([C@@H](COP(=O)(OCC1=CC=CC=C1)OCC2=CC=CC=C2)O)O)O

DOS

IR

Vibrations