Geometry & MOs

Info

ID:	303590
PubChem CID:	124489937
Reduced:	O8C15H18 (1)
Stoich.:	A8B15C18 (1)
Weight, g/mol:	303.143035
ΔH_f, kcal/mol:	-313.41
Dipole, Da:	6.07
IP(EA), eV:	-9.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3S)-3-[[(3R)-3-amino-3-carboxypropyl]amino]-3-carboxypropyl]azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)O)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations