Geometry & MOs

Info

ID:	338290
PubChem CID:	127258982
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	408.200885
ΔH_f, kcal/mol:	-125.02
Dipole, Da:	0.58
IP(EA), eV:	-8.79(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-1-[[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-methylamino]-1-oxopropan-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(C)OC1=CC=CC=C1

DOS

IR

Vibrations