Geometry & MOs

Info

ID:

395667

PubChem CID:

135026201

Reduced:

N3O5C28H31 (1)

Stoich.:

A3B5C28D31 (1)

Weight, g/mol:

540.13722

ΔHf, kcal/mol:

-157.14

Dipole, Da:

1.57

IP(EA), eV:

 -8.06(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (5S,7R)-5-(4-bromophenyl)-3-methyl-7-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CC(C2=C(N1)C=CC(=C2)OC)(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations