Geometry & MOs

Info

ID:	180887
PubChem CID:	76699422
Reduced:	F3O4N9C19H22 (1)
Stoich.:	A3B4C9D19E22 (1)
Weight, g/mol:	509.13446
ΔH_f, kcal/mol:	-173.16
Dipole, Da:	5.72
IP(EA), eV:	-9.15(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-[[3-[3-fluoro-4-[2-(pyridine-4-carbothioyl)-1,2,5-oxadiazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(N1)C(=O)CN2N=CN=N2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)C(F)F)F

DOS

IR

Vibrations