Geometry & MOs

Info

ID:

223766

PubChem CID:

85335543

Reduced:

O4N5C31H33 (1)

Stoich.:

A4B5C31D33 (1)

Weight, g/mol:

542.163534

ΔHf, kcal/mol:

-12.27

Dipole, Da:

5.81

IP(EA), eV:

 -9.28(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-methyl N-[[3-[4-[4-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC=C1)NC2=C(C(=O)N(NC2=O)CC3=CC=CC=C3)N=C4C=CC=C(C4=O)C(=O)N(C)C

DOS

IR

Vibrations