Geometry & MOs

Info

ID:

328121

PubChem CID:

126692135

Reduced:

N3C28H37 (1)

Stoich.:

A3B28C37 (1)

Weight, g/mol:

684.238254

ΔHf, kcal/mol:

52.41

Dipole, Da:

2.01

IP(EA), eV:

 -8.17(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-1,3-oxazolidin-3-yl]methyl]-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-4-methoxyphenyl]propanoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC=N1)C(=C(C)C)C2=C(C(=CC(=C2)/C(=C(\C)/CC)/C(=C)C)NC)NC=C

DOS

IR

Vibrations