Geometry & MOs

Info

ID:

327998

PubChem CID:

126691666

Reduced:

SN4O5C27H32 (1)

Stoich.:

AB4C5D27E32 (1)

Weight, g/mol:

677.23244

ΔHf, kcal/mol:

-144.87

Dipole, Da:

14.77

IP(EA), eV:

 -8.25(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-[6-(azetidin-1-yl)-2-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)C2=C(C=CC(=C2)C3NC=C(S3)C(=O)O)OC)CN4[C@H]([C@H](OC4=O)C(=C)C)C

DOS

IR

Vibrations