Geometry & MOs

Info

ID:

416799

PubChem CID:

135090437

Reduced:

N3O3C16H25 (2)

Stoich.:

A3B3C16D25 (2)

Weight, g/mol:

443.235497

ΔHf, kcal/mol:

-279.2

Dipole, Da:

3.85

IP(EA), eV:

 -8.91(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,4R)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3CCNCC3)C(C)C

DOS

IR

Vibrations