Geometry & MOs

Info

ID:	382212
PubChem CID:	134973210
Reduced:	NO8C12H21 (1)
Stoich.:	AB8C12D21 (1)
Weight, g/mol:	483.246832
ΔH_f, kcal/mol:	-382.27
Dipole, Da:	8.57
IP(EA), eV:	-9.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5R,6R,7R,8R)-5-acetamido-4,7,8,9-tetrahydroxy-6-[(4-methoxyphenyl)methoxy]-2-methylidenenonanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@@](CC1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O

DOS

IR

Vibrations