Geometry & MOs

Info

ID:

215349

PubChem CID:

85084579

Reduced:

Br2O5N7C37H43 (1)

Stoich.:

A2B5C7D37E43 (1)

Weight, g/mol:

825.373066

ΔHf, kcal/mol:

-166.69

Dipole, Da:

5.75

IP(EA), eV:

 -8.58(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[7-[3-(benzenesulfonyl)propyl]-2-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-6-yl]-3-phenylmethoxypropyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

DOS

IR

Vibrations