Geometry & MOs

Info

ID:

406450

PubChem CID:

135077662

Reduced:

BrNSO12C26H32 (1)

Stoich.:

ABCD12E26F32 (1)

Weight, g/mol:

617.133374

ΔHf, kcal/mol:

-513.56

Dipole, Da:

8.79

IP(EA), eV:

 -8.97(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-acetamido-4-acetyloxy-2-chloro-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Br)SC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations