Geometry & MOs

Info

ID:	159856
PubChem CID:	57288823
Reduced:	N2O4C5H12 (1)
Stoich.:	A2B4C5D12 (1)
Weight, g/mol:	833.392768
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	5.7
IP(EA), eV:	-10.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-[4-[[(2R,3R,4S,5R,6S)-6-hydroxy-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]phenyl]-1-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

Drug info:

PubChemData

Smile

C(CO)C(C(C[N+](=O)[O-])N)O

DOS

IR

Vibrations