Geometry & MOs

Info

ID:

328070

PubChem CID:

126691946

Reduced:

SN4F6O6H30C35 (1)

Stoich.:

AB4C6D6E30F35 (1)

Weight, g/mol:

653.307656

ΔHf, kcal/mol:

-465.51

Dipole, Da:

15.51

IP(EA), eV:

 -9.11(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-[6-(azetidin-1-yl)-2-[[(5R)-4-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate

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)N5CCCS5=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations