Geometry & MOs

Info

ID:

328153

PubChem CID:

126692298

Reduced:

NC4H7 (2)

Stoich.:

AB4C7 (2)

Weight, g/mol:

700.193195

ΔHf, kcal/mol:

32.47

Dipole, Da:

0.87

IP(EA), eV:

-8.46(0.87)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[3-[4-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-4-hydroxyphenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=NC)/C(=C\N)/C1CC1

DOS

IR

Vibrations