Geometry & MOs

Info

ID:

169811

PubChem CID:

75153476

Reduced:

SCl2O4N5H21C29 (1)

Stoich.:

AB2C4D5E21F29 (1)

Weight, g/mol:

638.363927

ΔHf, kcal/mol:

-40.95

Dipole, Da:

6.8

IP(EA), eV:

 -9.21(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-(azidomethyl)-5-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-hexadecanoyl-1,3-oxazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CN(CC2C3=CC=C(C=C3)C#N)C4=NC5=CC=CC(=C5S4)C(=O)OC)C6=CC(=CC(=C6)Cl)Cl

DOS

IR

Vibrations