Geometry & MOs

Info

ID:

328029

PubChem CID:

126691795

Reduced:

N4O4C35H42 (1)

Stoich.:

A4B4C35D42 (1)

Weight, g/mol:

650.196389

ΔHf, kcal/mol:

-118.51

Dipole, Da:

4.46

IP(EA), eV:

 -8.5(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-(azetidin-1-yl)-4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)N)OC)C6=CC(=CC(=C6)C)C

DOS

IR

Vibrations