Geometry & MOs

Info

ID:

219895

PubChem CID:

85165018

Reduced:

N3O16C23H39 (1)

Stoich.:

A3B16C23D39 (1)

Weight, g/mol:

613.270755

ΔHf, kcal/mol:

-735.82

Dipole, Da:

3.81

IP(EA), eV:

 -10.1(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-acetamido-4-azido-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]ethylcarbamoyloxy-(2-oxo-1,3-dioxolan-4-yl)methyl]-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)OC2(CC(C(C(O2)C(C(CO)O)O)NC(=O)C)O)C(=O)O)NC(=O)C

DOS

IR

Vibrations