Geometry & MOs

Info

ID:

395724

PubChem CID:

135026353

Reduced:

N4O5C26H30 (1)

Stoich.:

A4B5C26D30 (1)

Weight, g/mol:

558.323747

ΔHf, kcal/mol:

-139.12

Dipole, Da:

1.81

IP(EA), eV:

 -8.54(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (5R,6R,7S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethyl-7-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=N1)N[C@@H](C[C@@H]2NC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations