Geometry & MOs

Info

ID:	382329
PubChem CID:	134973409
Reduced:	NO7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	476.227099
ΔH_f, kcal/mol:	-169.77
Dipole, Da:	4.95
IP(EA), eV:	-9.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-5-acetamido-6-azido-4-hydroxy-6-[(4S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-methylidenehexanoate

Drug info:

PubChemData

Smile

CO[C@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)C[N+](=O)[O-]

DOS

IR

Vibrations