Geometry & MOs

Info

ID:	303622
PubChem CID:	124489970
Reduced:	NO4C6H10 (2)
Stoich.:	AB4C6D10 (2)
Weight, g/mol:	320.121966
ΔH_f, kcal/mol:	-345.58
Dipole, Da:	4.21
IP(EA), eV:	-10.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R,3S)-3-carboxy-3-[[(3R)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@H]1C(=O)O)C[C@@H]([C@@H](C(=O)O)NCC[C@H](C(=O)O)O)O

DOS

IR

Vibrations