Geometry & MOs

Info

ID:	234408
PubChem CID:	92298361
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	236.100836
ΔH_f, kcal/mol:	-103.13
Dipole, Da:	3.67
IP(EA), eV:	-9.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2-amino-4-[(1S,2S)-1-amino-1-carboxypropan-2-yl]oxy-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations