Geometry & MOs

Info

ID:

328125

PubChem CID:

126692152

Reduced:

N5O5F12H23C34 (1)

Stoich.:

A5B5C12D23E34 (1)

Weight, g/mol:

677.244184

ΔHf, kcal/mol:

-696.05

Dipole, Da:

9.96

IP(EA), eV:

-9.5(-1.55)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[[6-(azetidin-1-yl)-3-[2-cyclopropyloxy-5-(3-methoxypropyl)phenyl]pyridin-2-yl]methyl]-5-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=CC(=C(C=C3OC)F)C4=NC=C(C(=C4)C(F)(F)F)C(=O)O)N5CC(C5)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations