Geometry & MOs

Info

ID:

180882

PubChem CID:

76699388

Reduced:

FO4N5C19H24 (1)

Stoich.:

AB4C5D19E24 (1)

Weight, g/mol:

553.155509

ΔHf, kcal/mol:

-156.94

Dipole, Da:

2.82

IP(EA), eV:

 -8.17(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-methyl N-[[3-[3,5-difluoro-4-[2-[(6-methoxypyrimidin-4-yl)carbamoyl]-1,2,5-oxadiazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN4CC(=O)CN4CC3)F

DOS

IR

Vibrations