Geometry & MOs

Info

ID:	318359
PubChem CID:	126650733
Reduced:	SN6O7C13H22 (1)
Stoich.:	AB6C7D13E22 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-204.77
Dipole, Da:	7.96
IP(EA), eV:	-9.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN=CN(C)CCC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O

DOS

IR

Vibrations