Geometry & MOs

Info

ID:	303619
PubChem CID:	124489967
Reduced:	N2O7C12H20 (1)
Stoich.:	A2B7C12D20 (1)
Weight, g/mol:	304.127051
ΔH_f, kcal/mol:	-291.54
Dipole, Da:	8.83
IP(EA), eV:	-9.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations