Geometry & MOs

Info

ID:	176687
PubChem CID:	76082806
Reduced:	OC21H32 (1)
Stoich.:	AB21C32 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-61.1
Dipole, Da:	1.73
IP(EA), eV:	-8.41(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-amino-3-hydroxy-3-phenylpropanoyl)oxy-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC12CCCC(=CC=C3CCCCC3=C)C1CCC2CCO

DOS

IR

Vibrations