Geometry & MOs

Info

ID:	46355
PubChem CID:	10524023
Reduced:	NS2O9C12H17 (1)
Stoich.:	AB2C9D12E17 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-355.51
Dipole, Da:	2.43
IP(EA), eV:	-9.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-benzyl-3-hydroxy-4-[(4S,5S)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CSC#N)OS(=O)(=O)O)OC(O2)(C)C

DOS

IR

Vibrations