Geometry & MOs

Info

ID:

428586

PubChem CID:

135167700

Reduced:

N3O5C28H37 (1)

Stoich.:

A3B5C28D37 (1)

Weight, g/mol:

576.29234

ΔHf, kcal/mol:

-203.48

Dipole, Da:

7.83

IP(EA), eV:

 -8.05(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=C2C=CC(=C3)OC(C)C)[C@@H](C)C4CCOCC4)C)OC

DOS

IR

Vibrations