Geometry & MOs

Info

ID:	425637
PubChem CID:	135127050
Reduced:	N3P3O4C13H18 (1)
Stoich.:	A3B3C4D13E18 (1)
Weight, g/mol:	404.158351
ΔH_f, kcal/mol:	-167.84
Dipole, Da:	8.14
IP(EA), eV:	-9.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-[6-[(2S)-2-amino-2-carboxyethyl]-3-hydroxy-2-methoxyphenyl]-5-hydroxyphenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CP(=O)(N1C=CN=C1)OC(C2=CC=CC=C2)C(C(=O)OP)NP

DOS

IR

Vibrations