Geometry & MOs

Info

ID:	180888
PubChem CID:	76699564
Reduced:	SF3O4N5C22H22 (1)
Stoich.:	AB3C4D5E22F22 (1)
Weight, g/mol:	511.133711
ΔH_f, kcal/mol:	-187.19
Dipole, Da:	3.46
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(OCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CNC(=O)C(F)F)F)C(=S)C4=CC=NC=C4

DOS

IR

Vibrations