Geometry & MOs

Info

ID:

328044

PubChem CID:

126691843

Reduced:

N5O5F6H29C36 (1)

Stoich.:

A5B5C6D29E36 (1)

Weight, g/mol:

607.265791

ΔHf, kcal/mol:

-393.67

Dipole, Da:

7.92

IP(EA), eV:

 -9.37(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]cyclohexane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)OC)N5C=C(N=C5)C)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations