Geometry & MOs

Info

ID:

327929

PubChem CID:

126691405

Reduced:

N4O4F5C29H29 (1)

Stoich.:

A4B4C5D29E29 (1)

Weight, g/mol:

677.268826

ΔHf, kcal/mol:

-338.66

Dipole, Da:

3.57

IP(EA), eV:

 -8.95(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-3-yl]methyl]-4-methylpyridin-3-yl]-4-methoxyphenyl]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=CC(=C(C=C3OC)F)C(C)C)N4CC(C4)F)C5=CC(=CC=C5)OC(F)(F)F

DOS

IR

Vibrations