Geometry & MOs

Info

ID:	711
PubChem CID:	3238
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-185.49
Dipole, Da:	4.38
IP(EA), eV:	-9.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O

DOS

IR

Vibrations