Geometry & MOs

Info

ID:	185649
PubChem CID:	77325070
Reduced:	PO7N10C18H22 (1)
Stoich.:	AB7C10D18E22 (1)
Weight, g/mol:	417.169999
ΔH_f, kcal/mol:	-138.43
Dipole, Da:	3.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.945060
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[3-fluoro-4-[6-(3-oxobutanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)COCCO[P+](=O)OC3C(OC(C3O)N4C=NC5=C(N=CN=C54)N)CO)N

DOS

IR

Vibrations