Geometry & MOs

Info

ID:

327973

PubChem CID:

126691579

Reduced:

N3O4F6C31H31 (1)

Stoich.:

A3B4C6D31E31 (1)

Weight, g/mol:

658.23786

ΔHf, kcal/mol:

-413.94

Dipole, Da:

3.73

IP(EA), eV:

 -8.66(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-3-[[6-(azetidin-1-yl)-3-[5-(1,4-dimethylpyrrol-2-yl)-2-methoxyphenyl]pyridin-2-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CCCO)OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations