Geometry & MOs

Info

ID:	382354
PubChem CID:	134973446
Reduced:	N2O11C24H26 (1)
Stoich.:	A2B11C24D26 (1)
Weight, g/mol:	518.205301
ΔH_f, kcal/mol:	-390.63
Dipole, Da:	9.45
IP(EA), eV:	-9.61(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-4-[(3S)-3-hydroxy-2-oxo-1-phenylmethoxyazetidin-3-yl]-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@@H](C(C([C@@H](O1)OCCOC2=CC(=C(C=C2)C#N)C#N)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations