Geometry & MOs

Info

ID:

328118

PubChem CID:

126692128

Reduced:

O3N4C19H26 (1)

Stoich.:

A3B4C19D26 (1)

Weight, g/mol:

663.21679

ΔHf, kcal/mol:

-91.5

Dipole, Da:

4.42

IP(EA), eV:

 -8.85(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-hydroxyphenyl]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)CC1=NC(=NC=C1C2=C(C=CC(=C2)CCC(=O)O)O)NC

DOS

IR

Vibrations