Geometry & MOs

Info

ID:

221621

PubChem CID:

85285735

Reduced:

O8C33H38 (1)

Stoich.:

A8B33C38 (1)

Weight, g/mol:

562.322731

ΔHf, kcal/mol:

-276.81

Dipole, Da:

6.98

IP(EA), eV:

 -8.71(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-azido-5-(5-methyl-2,6-dioxo-3H-pyridin-3-yl)oxolan-2-yl]methyl 5-oxo-5-(1,4,8,11-tetrazacyclotetradec-1-yl)pentanoate

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)OC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C

DOS

IR

Vibrations