Geometry & MOs

Info

ID:

127899

PubChem CID:

51021788

Reduced:

ClSO5H15C16 (1)

Stoich.:

ABC5D15E16 (1)

Weight, g/mol:

432.106984

ΔHf, kcal/mol:

-177.72

Dipole, Da:

6.79

IP(EA), eV:

 -10.04(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4S,5R)-4-hydroxy-5-methyl-15,17-dioxo-24-oxa-1,6,16,20-tetrazaheptacyclo[11.8.2.12,5.06,23.07,12.014,18.019,22]tetracosa-7,9,11,13,18,20,22-heptaene-4-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)[C@@H]3CC[C@H](C3)C2=O)Cl

DOS

IR

Vibrations