Geometry & MOs

Info

ID:

328089

PubChem CID:

126692019

Reduced:

ClON5C27H28 (1)

Stoich.:

ABC5D27E28 (1)

Weight, g/mol:

693.26374

ΔHf, kcal/mol:

68.39

Dipole, Da:

3.52

IP(EA), eV:

 -8.09(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC1)C)C2=CC(=C(C(=C2)NC)NC=C)C(C3=NC=C(C=C3)C)(C4=NC=C(C=C4)Cl)O

DOS

IR

Vibrations