Geometry & MOs

Info

ID:

298877

PubChem CID:

117662346

Reduced:

NO5C25H25 (1)

Stoich.:

AB5C25D25 (1)

Weight, g/mol:

886.418665

ΔHf, kcal/mol:

-143.78

Dipole, Da:

4.9

IP(EA), eV:

 -8.77(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(3R)-3-[[1-[5-[2-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]ethynyl]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=NC(=CC=C2)OCC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OC

DOS

IR

Vibrations