Geometry & MOs

Info

ID:

328154

PubChem CID:

126692299

Reduced:

N4O5F8H28C32 (1)

Stoich.:

A4B5C8D28E32 (1)

Weight, g/mol:

605.194912

ΔHf, kcal/mol:

-548.84

Dipole, Da:

9.71

IP(EA), eV:

 -9.28(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[6-(3,3-difluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC(=C2C3=C(C=CC(=C3)C4CC(C4)C(=O)O)O)C)N5CC(C5)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations