Geometry & MOs

Info

ID:	382330
PubChem CID:	134973410
Reduced:	N4O7C23H32 (1)
Stoich.:	A4B7C23D32 (1)
Weight, g/mol:	476.227099
ΔH_f, kcal/mol:	-229.84
Dipole, Da:	6.68
IP(EA), eV:	-9.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC([C@H](CC(=C)C(=O)OC(C)(C)C)O)C([C@H]1C(COC(O1)C2=CC=CC=C2)O)N=[N+]=[N-]

DOS

IR

Vibrations