Geometry & MOs

Info

ID:

328000

PubChem CID:

126691671

Reduced:

N2O3C19H24 (1)

Stoich.:

A2B3C19D24 (1)

Weight, g/mol:

684.238254

ΔHf, kcal/mol:

-100.09

Dipole, Da:

5.09

IP(EA), eV:

 -8.35(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-4-methoxyphenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NC)C2=C(C=CC(=C2)CC(C)(C)C(=O)O)OC

DOS

IR

Vibrations