Geometry & MOs

Info

ID:

394391

PubChem CID:

135022902

Reduced:

SN2O7C26H34 (1)

Stoich.:

AB2C7D26E34 (1)

Weight, g/mol:

532.224323

ΔHf, kcal/mol:

-291.9

Dipole, Da:

2.44

IP(EA), eV:

 -9.62(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4S,6R)-6-[2-methyl-4-(phenylmethoxycarbonylamino)butan-2-yl]-2,2-dioxo-4-phenyloxathiazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CCNC(=O)OCC1=CC=CC=C1)[C@H]2C[C@H](N(S(=O)(=O)O2)C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations