Geometry & MOs

Info

ID:

427283

PubChem CID:

135156667

Reduced:

SF3O5N7C40H48 (1)

Stoich.:

AB3C5D7E40F48 (1)

Weight, g/mol:

504.1736

ΔHf, kcal/mol:

-257.78

Dipole, Da:

1.84

IP(EA), eV:

 -8.0(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-3-[4-bromo-3-(3-pyridin-4-ylpyrazol-1-yl)cyclohexyl]oxy-2-tert-butylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)CN1CCC(CC1)CN2CCN(CC2)C3=CC=C(C=C3)C4=CC5=C(NC=C5C(=O)C6=C(C=CC(=C6F)NS(=O)(=O)N7CC[C@@H](C7)F)F)N=C4

DOS

IR

Vibrations